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PubChem AID 602235

Compile data set for download or QSAR
Found 140 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87330
PNG
(MLS000766234 | SMR000528847 | TENIPOSIDE | cid_539...)
Show SMILES COc1cc(cc(OC)c1O)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)c2cccs2)c2cc3OCOc3cc12
Show InChI InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3
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n/an/a>443n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM54272
PNG
(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Show SMILES ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1
Show InChI InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2
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n/an/a>443n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87252
PNG
(7-Cyclopropyl-8H-imidazo[4',5':3,4]benzo[1...)
Show SMILES C1CC1c1nc2ccc3[nH]snc3c2n1
Show InChI InChI=1S/C10H8N4S/c1-2-5(1)10-11-6-3-4-7-9(8(6)12-10)14-15-13-7/h3-5,13H,1-2H2
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n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM64005
PNG
((6-Bromo-quinazolin-4-yl)-(2,4-dimethoxy-phenyl)-a...)
Show SMILES COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
Show InChI InChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 2.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87279
PNG
(2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thioph...)
Show SMILES ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2
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n/an/a 2.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7493
PNG
(cid_23641117)
Show SMILES C[C@@]12CN3[C@H]4C[C@@]56[C@H]7C[C@@H]([C@H](O)[C@H]5[C@@](CCC1)([C@H]37)[C@@H]24)C(=C)C6=O
Show InChI InChI=1S/C20H25NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-16,22H,1,3-8H2,2H3/t10-,11+,12+,13+,14-,15+,16-,18+,19+,20-/m1/s1
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n/an/a 3.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6508
PNG
(cid_1150831)
Show SMILES O=C(CCC1CCCC1)Nc1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c25-20(12-7-16-4-1-2-5-16)24-19-10-8-18(9-11-19)21(26)23-15-17-6-3-13-22-14-17/h3,6,8-11,13-14,16H,1-2,4-5,7,12,15H2,(H,23,26)(H,24,25)
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n/an/a 3.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5925
PNG
(cid_699688)
Show SMILES Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2S/c1-9-12(8-13(22)11-6-4-3-5-7-11)10(2)21-18-14(9)15(19)16(24-18)17(20)23/h3-7H,8,19H2,1-2H3,(H2,20,23)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM67919
PNG
(1-[4-(2,4-Dichloro-benzyloxy)-phenyl]-3-phenyl-thi...)
Show SMILES Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2OS/c21-15-7-6-14(19(22)12-15)13-25-18-10-8-17(9-11-18)24-20(26)23-16-4-2-1-3-5-16/h1-12H,13H2,(H2,23,24,26)
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n/an/a 4.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4666
PNG
(cid_2944628)
Show SMILES Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc(ccc2C)[N+]([O-])=O)c1
Show InChI InChI=1S/C22H21N3O5S/c1-14-8-9-15(2)20(12-14)23-22(26)18-6-4-5-7-19(18)24-31(29,30)21-13-17(25(27)28)11-10-16(21)3/h4-13,24H,1-3H3,(H,23,26)
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n/an/a 4.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5343
PNG
(cid_6508320)
Show SMILES Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN=Cc2cccc(O)c2O)n1
Show InChI InChI=1S/C21H20N4O3S/c1-13-10-14(2)24-21(23-13)29-12-15-6-8-16(9-7-15)20(28)25-22-11-17-4-3-5-18(26)19(17)27/h3-11,26-27H,12H2,1-2H3,(H,25,28)
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n/an/a 5.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM57102
PNG
(MLS000541562 | N-cyclohexyl-6-phenyl-3-(2-pyridiny...)
Show SMILES C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)
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n/an/a 5.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM64618
PNG
(2-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazin...)
Show SMILES COc1cccc(C=NNC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)c1O
Show InChI InChI=1S/C18H15F4N3O5/c1-29-13-8-4-5-10(14(13)26)9-23-25-16(28)15(27)24-11-6-2-3-7-12(11)30-18(21,22)17(19)20/h2-9,17,26H,1H3,(H,24,27)(H,25,28)
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n/an/a 5.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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n/an/a 6.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7164
PNG
(cid_2745456)
Show SMILES Cc1nc2ccccn2c1-c1cc[nH]c(=S)n1
Show InChI InChI=1S/C12H10N4S/c1-8-11(9-5-6-13-12(17)15-9)16-7-3-2-4-10(16)14-8/h2-7H,1H3,(H,13,15,17)
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n/an/a 6.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4541
PNG
(cid_5897172)
Show SMILES Oc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,22H,3,6,9H2,(H,21,23)
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n/an/a 6.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50257750
PNG
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)
Show SMILES Brc1ccc2ncnc(NCC=C)c2c1
Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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n/an/a 6.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM70761
PNG
(2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N3O2/c22-13-19(27)26(18-10-4-7-16(23)12-18)20(15-6-5-11-24-14-15)21(28)25-17-8-2-1-3-9-17/h4-7,10-12,14,17,20H,1-3,8-9,13H2,(H,25,28)
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n/an/a 6.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6761
PNG
(cid_4416225)
Show SMILES COc1cc2C(CNC(=O)c2cc1OC)NC(=O)C(F)(F)F
Show InChI InChI=1S/C13H13F3N2O4/c1-21-9-3-6-7(4-10(9)22-2)11(19)17-5-8(6)18-12(20)13(14,15)16/h3-4,8H,5H2,1-2H3,(H,17,19)(H,18,20)
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n/an/a 6.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87271
PNG
(3-hydroxy-2-naphthalenecarbohydrazide | 3-hydroxyn...)
Show SMILES NNC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)
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n/an/a 7.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4389
PNG
(cid_5172209)
Show SMILES Cn1nc(c(C#N)c1N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H16F3N5/c1-22-15(13(11-20)14(21-22)16(17,18)19)24-9-7-23(8-10-24)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
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n/an/a 7.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM3993
PNG
(9-hydroximinofluorene-4-carboxylic acid ethyl este...)
Show SMILES CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12
Show InChI InChI=1S/C16H13NO3/c1-2-20-16(18)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)17-19/h3-9,15H,2H2,1H3
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n/an/a 7.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50262
PNG
(1-(3-Chloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]thiad...)
Show SMILES Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10ClN5OS/c15-10-2-1-3-11(8-10)17-13(21)18-14-20-19-12(22-14)9-4-6-16-7-5-9/h1-8H,(H2,17,18,20,21)
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87320
PNG
((2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)...)
Show SMILES Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1
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n/an/a 8.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM3859
PNG
(1-Phenylbenzimidazole deriv. 76 | 6-methoxy-1-phen...)
Show SMILES COc1ccc2ncn(-c3ccccc3)c2c1
Show InChI InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 8.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM53766
PNG
(MLS000541224 | N'-(5-bromo-2-hydroxy-3-methoxy...)
Show SMILES COc1nn(cc1[N+]([O-])=O)C(C)C(=O)N\[NH+]=C\c1cc(Br)cc(OC)c1[O-]
Show InChI InChI=1S/C15H16BrN5O6/c1-8(20-7-11(21(24)25)15(19-20)27-3)14(23)18-17-6-9-4-10(16)5-12(26-2)13(9)22/h4-8,22H,1-3H3,(H,18,23)/b17-6+
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n/an/a 8.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5518
PNG
(cid_4163317)
Show SMILES CN(C)\C=N\c1c(sc2nccc(N(C)C)c12)C(=O)c1ccccc1
Show InChI InChI=1S/C19H20N4OS/c1-22(2)12-21-16-15-14(23(3)4)10-11-20-19(15)25-18(16)17(24)13-8-6-5-7-9-13/h5-12H,1-4H3/b21-12+
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n/an/a 8.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87313
PNG
(1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimid...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Show InChI InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
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n/an/a 8.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87334
PNG
(3-(4-Amino-phenyl)-chromen-2-one | 3-(4-aminopheny...)
Show SMILES Nc1ccc(cc1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H,16H2
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n/an/a 8.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4212
PNG
(cid_3338791)
Show SMILES Cn1nc(c(C#N)c1N1CCN(CC1)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H15F4N5/c1-23-15(13(10-21)14(22-23)16(18,19)20)25-8-6-24(7-9-25)12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3
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n/an/a 9.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM44131
PNG
(3-(4-chlorophenyl)-2,5-dimethyl-6-(phenylmethyl)-1...)
Show SMILES Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O/c1-13-18(12-15-6-4-3-5-7-15)21(26)25-20(23-13)19(14(2)24-25)16-8-10-17(22)11-9-16/h3-11,24H,12H2,1-2H3
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n/an/a 9.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87275
PNG
(2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino...)
Show SMILES COC(CN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl)OC
Show InChI InChI=1S/C21H31ClN2O4/c1-15-9-7-8-12-17(15)20(21(26)23-16-10-5-4-6-11-16)24(18(25)13-22)14-19(27-2)28-3/h7-9,12,16,19-20H,4-6,10-11,13-14H2,1-3H3,(H,23,26)
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n/an/a 9.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6450
PNG
(cid_766646)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16)
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n/an/a 9.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM39195
PNG
((9Z)-9-hydroximinofluorene-4-carboxylic acid methy...)
Show SMILES COC(=O)c1cccc2C(N=O)c3ccccc3-c12
Show InChI InChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,14H,1H3
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n/an/a 9.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63835
PNG
(6-(chloromethyl)-2-N-naphthalen-1-yl-1,3,5-triazin...)
Show SMILES Nc1nc(CCl)nc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H3,16,17,18,19,20)
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM60521
PNG
((2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxy-4-...)
Show SMILES OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O4/c21-9-8-14(10-13-4-2-1-3-5-13)18(24)20-19-12-15-6-7-16(22)11-17(15)23/h1-7,10-12,21-23H,8-9H2,(H,20,24)
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5209
PNG
(cid_5918095)
Show SMILES OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7572
PNG
(cid_23724268)
Show SMILES COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12
Show InChI InChI=1S/C22H20FN3O/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19/h3-12,14H,13H2,1-2H3,(H,24,25)
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7059
PNG
(cid_9583469)
Show SMILES Cc1nn(c(C)c1\C=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C17H20Cl2N4O2/c1-10-13(11(2)23(22-10)17(3,4)5)9-20-25-16(24)21-12-6-7-14(18)15(19)8-12/h6-9H,1-5H3,(H,21,24)/b20-9+
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4210
PNG
(cid_3189509)
Show SMILES CC(C)n1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H24N6O3S2/c1-10(2)25-14-15(23(3)19(28)24(4)16(14)27)22-18(25)29-9-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h10H,5-9H2,1-4H3,(H,20,21,26)
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM82750
PNG
(2-(4-chloranylphenoxy)-1-[4-(5-methyl-2-oxidanyl-p...)
Show SMILES Cc1ccc(O)c(c1)C(=O)c1cnn(c1)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN2O4/c1-12-2-7-17(23)16(8-12)19(25)13-9-21-22(10-13)18(24)11-26-15-5-3-14(20)4-6-15/h2-10,23H,11H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6128
PNG
(cid_16189061)
Show SMILES CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5/c1-3-24-7-6-20-16(24)11-23(2)10-12-9-21-22-17(12)14-5-4-13(18)8-15(14)19/h4-9H,3,10-11H2,1-2H3,(H,21,22)
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM3917
PNG
(cid_2550156)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Oc2ncnc3sccc23)cc1
Show InChI InChI=1S/C18H18N4O2S/c1-13(23)21-7-9-22(10-8-21)14-2-4-15(5-3-14)24-17-16-6-11-25-18(16)20-12-19-17/h2-6,11-12H,7-10H2,1H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87261
PNG
(MLS000554094 | N'-(4-Cyano-5-ethyl-5H-pyrido[4...)
Show SMILES CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
Show InChI InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4721
PNG
(cid_5441368)
Show SMILES Cc1c(NN=C(C#N)C(=O)c2ccccc2C)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C21H19N5O2/c1-14-9-7-8-12-17(14)20(27)18(13-22)23-24-19-15(2)25(3)26(21(19)28)16-10-5-4-6-11-16/h4-12,24H,1-3H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63301
PNG
(1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(6-methyl-...)
Show SMILES Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H19N3O4/c1-13-9-10-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM79576
PNG
(4,6-Dimethoxy-1H-indole-2-carboxylic acid [1-(2-hy...)
Show SMILES COc1cc(OC)c2cc([nH]c2c1)C(=O)NN=Cc1cccc(OC)c1O
Show InChI InChI=1S/C19H19N3O5/c1-25-12-7-14-13(17(8-12)27-3)9-15(21-14)19(24)22-20-10-11-5-4-6-16(26-2)18(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6130
PNG
(cid_2155055)
Show SMILES CCCCN(CCCC)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H21N5/c1-3-5-7-18(8-6-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17)
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n/an/a 1.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4208
PNG
(cid_746405)
Show SMILES CC1(C)Cc2c(ccc3ccccc23)C(=O)N1
Show InChI InChI=1S/C15H15NO/c1-15(2)9-13-11-6-4-3-5-10(11)7-8-12(13)14(17)16-15/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/a 1.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6774
PNG
(cid_9599854)
Show SMILES CCCS(=O)(=O)c1c(C(=O)N\N=C\c2cc(O)cc(O)c2)n2cccc(C)c2c1S(=O)(=O)CCC
Show InChI InChI=1S/C23H27N3O7S2/c1-4-9-34(30,31)21-19-15(3)7-6-8-26(19)20(22(21)35(32,33)10-5-2)23(29)25-24-14-16-11-17(27)13-18(28)12-16/h6-8,11-14,27-28H,4-5,9-10H2,1-3H3,(H,25,29)/b24-14+
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87256
PNG
(MLS000040549 | N-cyclohexyl-N-[(2-keto-1H-quinolin...)
Show SMILES O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccncc1
Show InChI InChI=1S/C22H23N3O2/c26-21-18(14-17-6-4-5-9-20(17)24-21)15-25(19-7-2-1-3-8-19)22(27)16-10-12-23-13-11-16/h4-6,9-14,19H,1-3,7-8,15H2,(H,24,26)
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7531
PNG
(cid_734774)
Show SMILES Cc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1
Show InChI InChI=1S/C11H10BrN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87284
PNG
(3,4,5-trimethoxy-N-[(E)-[phenyl(2-pyridinyl)methyl...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C(/c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N3O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22(26)25-24-20(15-9-5-4-6-10-15)17-11-7-8-12-23-17/h4-14H,1-3H3,(H,25,26)/b24-20+
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n/an/a>1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6119
PNG
(cid_2966583)
Show SMILES CCn1c(Oc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-9(16)6-8-10/h5-8H,4H2,1-3H3
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n/an/a>1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM53827
PNG
(MLS000587719 | Morpholin-4-yl-pyridin-4-yl-acetic ...)
Show SMILES Oc1ccc(Br)cc1C=NNC(=O)C(N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C18H19BrN4O3/c19-15-1-2-16(24)14(11-15)12-21-22-18(25)17(13-3-5-20-6-4-13)23-7-9-26-10-8-23/h1-6,11-12,17,24H,7-10H2,(H,22,25)
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n/an/a>1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63687
PNG
(2-chloranyl-N-(1,2-diphenylethyl)ethanamide | 2-ch...)
Show SMILES ClCC(=O)NC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87255
PNG
((5E)-1-allyl-5-[1-[(3,5-dimethoxybenzyl)amino]ethy...)
Show SMILES COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1
Show InChI InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM45127
PNG
(2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1...)
Show SMILES COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O
Show InChI InChI=1S/C19H19N3O6/c1-26-15-8-4-5-12(18(15)24)9-21-22-17(23)10-20-19(25)16-11-27-13-6-2-3-7-14(13)28-16/h2-9,16,24H,10-11H2,1H3,(H,20,25)(H,22,23)
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n/an/a 1.27E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM36905
PNG
(4-amino-6-methyl-2-(trifluoromethyl)-3-quinolineca...)
Show SMILES Cc1ccc2nc(c(C#N)c(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3/c1-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18)
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n/an/a 1.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6446
PNG
(cid_16191289)
Show SMILES CCN(Cc1ccncc1)C(=O)CC1N(Cc2ccc(F)c(F)c2)CCNC1=O
Show InChI InChI=1S/C21H24F2N4O2/c1-2-26(13-15-5-7-24-8-6-15)20(28)12-19-21(29)25-9-10-27(19)14-16-3-4-17(22)18(23)11-16/h3-8,11,19H,2,9-10,12-14H2,1H3,(H,25,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50224397
PNG
(9-dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5241
PNG
(cid_878541)
Show SMILES COc1ccc(cc1)-n1cnc(N)c1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O4/c1-25-14-7-5-12(6-8-14)20-10-19-17(18)15(20)16(22)11-3-2-4-13(9-11)21(23)24/h2-10H,18H2,1H3
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM46455
PNG
(3-bromanyl-5-ethoxy-4-methoxy-benzamide | 3-bromo-...)
Show SMILES CCOc1cc(cc(Br)c1OC)C(N)=O
Show InChI InChI=1S/C10H12BrNO3/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H2,12,13)
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n/an/a 1.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4834
PNG
(cid_1881759)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)NNC(=O)c1cnccn1
Show InChI InChI=1S/C16H17N5O5S/c1-24-11-6-9(7-12(25-2)13(11)26-3)14(22)19-16(27)21-20-15(23)10-8-17-4-5-18-10/h4-8H,1-3H3,(H,20,23)(H2,19,21,22,27)
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n/an/a 1.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5373
PNG
(cid_6876607)
Show SMILES CC(=O)Oc1ccc(\C=N\NC(=O)COc2ccccc2CC=C)c(OC(C)=O)c1
Show InChI InChI=1S/C22H22N2O6/c1-4-7-17-8-5-6-9-20(17)28-14-22(27)24-23-13-18-10-11-19(29-15(2)25)12-21(18)30-16(3)26/h4-6,8-13H,1,7,14H2,2-3H3,(H,24,27)/b23-13+
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n/an/a 1.47E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87297
PNG
((4Z)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-...)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1
Show InChI InChI=1S/C26H21N5O3/c1-17-20(15-29-31(17)19-9-3-2-4-10-19)24(32)22-23(21-11-5-6-13-28-21)30(26(34)25(22)33)16-18-8-7-12-27-14-18/h2-15,22-23H,16H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4847
PNG
(cid_1567207)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C22H20ClNO6/c1-22(2,3)30-21(27)24-12-20(26)29-18-11-17-15(9-16(18)23)14(10-19(25)28-17)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,24,27)
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n/an/a 1.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6563
PNG
(cid_3111851)
Show SMILES CC1C(C(C)=O)C(C)=NC2=C1C(=O)CC(C)(C)C2
Show InChI InChI=1S/C15H21NO2/c1-8-13(10(3)17)9(2)16-11-6-15(4,5)7-12(18)14(8)11/h8,13H,6-7H2,1-5H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5212
PNG
(cid_901690)
Show SMILES c1scc2c1ncc1cnccc21
Show InChI InChI=1S/C10H6N2S/c1-2-11-3-7-4-12-10-6-13-5-9(10)8(1)7/h1-6H
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n/an/a 1.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6764
PNG
(cid_4272027)
Show SMILES CCCCC(=O)Nc1cccn2ncnc12
Show InChI InChI=1S/C11H14N4O/c1-2-3-6-10(16)14-9-5-4-7-15-11(9)12-8-13-15/h4-5,7-8H,2-3,6H2,1H3,(H,14,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87331
PNG
(4-(2-phenylphenoxy)aniline | 4-([1,1'-biphenyl...)
Show SMILES Nc1ccc(Oc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C18H15NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,19H2
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n/an/a 1.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5730
PNG
(cid_738018)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-20(2)17(22)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(21)19-18-15/h3-10H,1-2H3,(H,19,21)
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n/an/a 1.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4204
PNG
(cid_5417112)
Show SMILES COc1ccc(cc1)-c1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
Show InChI InChI=1S/C20H21NO4/c1-12-19(23)14(11-21(2)3)9-17-16(10-18(22)25-20(12)17)13-5-7-15(24-4)8-6-13/h5-10,23H,11H2,1-4H3
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n/an/a 1.64E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM40958
PNG
((6E)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6...)
Show SMILES COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O
Show InChI InChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
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n/an/a 1.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4073
PNG
(cid_709430)
Show SMILES CC1CCN(CC1)C(=O)c1scc2OCCOc12
Show InChI InChI=1S/C13H17NO3S/c1-9-2-4-14(5-3-9)13(15)12-11-10(8-18-12)16-6-7-17-11/h8-9H,2-7H2,1H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7009
PNG
(cid_235292)
Show SMILES Cn1c2nc(COc3ccc(cc3)C(C)(C)C)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H22N4O3/c1-18(2,3)11-6-8-12(9-7-11)25-10-13-19-14-15(20-13)21(4)17(24)22(5)16(14)23/h6-9H,10H2,1-5H3,(H,19,20)
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n/an/a 1.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4975
PNG
(cid_6035592)
Show SMILES Oc1ccccc1C=NNC(=O)CCn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4O2/c30-22-14-8-7-13-21(22)17-27-28-23(31)15-16-29-18-26-24(19-9-3-1-4-10-19)25(29)20-11-5-2-6-12-20/h1-14,17-18,30H,15-16H2,(H,28,31)
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n/an/a 1.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6284
PNG
(cid_2225578)
Show SMILES COc1ccc(Cc2nnc(SCc3ccc(cc3)[N+]([O-])=O)o2)cc1
Show InChI InChI=1S/C17H15N3O4S/c1-23-15-8-4-12(5-9-15)10-16-18-19-17(24-16)25-11-13-2-6-14(7-3-13)20(21)22/h2-9H,10-11H2,1H3
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n/an/a 1.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM39369
PNG
(1-isopropyl-2-(3-pyridyl)imidazo[4,5-c]pyridine | ...)
Show SMILES CC(C)n1c(nc2cnccc12)-c1cccnc1
Show InChI InChI=1S/C14H14N4/c1-10(2)18-13-5-7-16-9-12(13)17-14(18)11-4-3-6-15-8-11/h3-10H,1-2H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87325
PNG
(3-keto-4-[[4-(3-pyridyl)pyrimidin-2-yl]thio]butyri...)
Show SMILES CCOC(=O)CC(=O)CSc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C15H15N3O3S/c1-2-21-14(20)8-12(19)10-22-15-17-7-5-13(18-15)11-4-3-6-16-9-11/h3-7,9H,2,8,10H2,1H3
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n/an/a 1.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4537
PNG
(cid_1477619)
Show SMILES Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2S/c22-19-6-5-16(13-20(19)23)14-25-15-17(18-3-1-2-4-21(18)25)7-8-24-9-11-28(26,27)12-10-24/h1-6,13,15H,7-12,14H2
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n/an/a 1.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM78750
PNG
(MLS000674938 | N-({[4-(4-benzoyl-1-piperazinyl)phe...)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H22N4O2S2/c28-21(20-7-4-16-31-20)25-23(30)24-18-8-10-19(11-9-18)26-12-14-27(15-13-26)22(29)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H2,24,25,28,30)
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n/an/a 1.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM52401
PNG
(4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimet...)
Show SMILES CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+
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n/an/a 2.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87304
PNG
((6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O5/c1-12-16-11-18(26-3)17(25-2)10-13(16)7-8-20(12)19(22)14-5-4-6-15(9-14)21(23)24/h4-6,9-12H,7-8H2,1-3H3
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n/an/a 2.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM58136
PNG
(MLS000770597 | N-(4-pyridin-2-yl-1,3-thiazol-2-yl)...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccn1)c1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C16H11N7OS/c24-15(11-4-3-5-12(8-11)23-10-18-21-22-23)20-16-19-14(9-25-16)13-6-1-2-7-17-13/h1-10H,(H,19,20,24)
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n/an/a 2.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM34924
PNG
(3-methoxy-10-pyrido[1,2-a]indolecarbonitrile | 3-m...)
Show SMILES COc1ccc2c(C#N)c3ccccn3c2c1
Show InChI InChI=1S/C14H10N2O/c1-17-10-5-6-11-12(9-15)13-4-2-3-7-16(13)14(11)8-10/h2-8H,1H3
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n/an/a 2.27E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7551
PNG
(cid_2988828)
Show SMILES CCn1c(Oc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-6-9(16)8-10/h5-8H,4H2,1-3H3
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n/an/a 2.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a 2.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6565
PNG
(cid_699126)
Show SMILES [O-][N+](=O)c1ccc2[nH]c3c(CCNC3=O)c2c1
Show InChI InChI=1S/C11H9N3O3/c15-11-10-7(3-4-12-11)8-5-6(14(16)17)1-2-9(8)13-10/h1-2,5,13H,3-4H2,(H,12,15)
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n/an/a 2.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM3915
PNG
(cid_696849)
Show SMILES C1CCc2c(C1)sc1ncn3nnnc3c21
Show InChI InChI=1S/C10H9N5S/c1-2-4-7-6(3-1)8-9-12-13-14-15(9)5-11-10(8)16-7/h5H,1-4H2
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n/an/a 2.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4201
PNG
(cid_703074)
Show SMILES C(CN1CCOCC1)Nc1ncnc2scc(-c3ccccc3)c12
Show InChI InChI=1S/C18H20N4OS/c1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22/h1-5,12-13H,6-11H2,(H,19,20,21)
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n/an/a 2.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5218
PNG
(cid_9557818)
Show SMILES CC(C)C=NNC(=O)c1[nH]c2ccc(cc2c1C)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O3/c1-8(2)7-15-17-14(19)13-9(3)11-6-10(18(20)21)4-5-12(11)16-13/h4-8,16H,1-3H3,(H,17,19)
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n/an/a 2.74E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM39243
PNG
(3-amino-2-thieno[2,3-c]pyridinecarboxylic acid met...)
Show SMILES COC(=O)c1sc2cnccc2c1N
Show InChI InChI=1S/C9H8N2O2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,10H2,1H3
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n/an/a 2.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7042
PNG
(cid_5958794)
Show SMILES CCCCC(CC)COCCCNC=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C16H27N3O3S/c1-3-5-7-12(4-2)11-22-9-6-8-17-10-13-14(20)18-16(23)19-15(13)21/h10,12,17H,3-9,11H2,1-2H3,(H2,18,19,20,21,23)
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n/an/a 2.85E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4393
PNG
(cid_3961833)
Show SMILES CCOC(=O)c1c(NC(=O)C(C)N2CCN(CC2)C(=O)c2ccco2)sc2CCCCc12
Show InChI InChI=1S/C23H29N3O5S/c1-3-30-23(29)19-16-7-4-5-9-18(16)32-21(19)24-20(27)15(2)25-10-12-26(13-11-25)22(28)17-8-6-14-31-17/h6,8,14-15H,3-5,7,9-13H2,1-2H3,(H,24,27)
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n/an/a 3.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6853
PNG
(cid_4966271)
Show SMILES COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1
Show InChI InChI=1S/C18H19ClN4O5/c1-22(10-17(24)20-13-4-3-5-14(9-13)28-2)11-18(25)21-15-7-6-12(19)8-16(15)23(26)27/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,25)
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n/an/a 3.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7004
PNG
(cid_3265453)
Show SMILES CN(C1CCS(=O)(=O)C1)c1ncnc2sc3CCCc3c12
Show InChI InChI=1S/C14H17N3O2S2/c1-17(9-5-6-21(18,19)7-9)13-12-10-3-2-4-11(10)20-14(12)16-8-15-13/h8-9H,2-7H2,1H3
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n/an/a 3.27E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6567
PNG
(cid_7532081)
Show SMILES Fc1cccc(CSc2nnc3ccc(nn23)-c2ccncc2)c1
Show InChI InChI=1S/C17H12FN5S/c18-14-3-1-2-12(10-14)11-24-17-21-20-16-5-4-15(22-23(16)17)13-6-8-19-9-7-13/h1-10H,11H2
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n/an/a>3.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5596
PNG
(cid_848793)
Show SMILES CCC(=O)Oc1c(C)c2oc(=O)cc(C)c2cc1C(=O)CC
Show InChI InChI=1S/C17H18O5/c1-5-13(18)12-8-11-9(3)7-15(20)22-16(11)10(4)17(12)21-14(19)6-2/h7-8H,5-6H2,1-4H3
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n/an/a>3.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM48526
PNG
(3-(2-Chloro-phenyl)-1-(6-methoxy-2-oxo-1,2-dihydro...)
Show SMILES COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1
Show InChI InChI=1S/C24H27ClN4O3/c1-32-19-8-9-21-17(15-19)14-18(23(30)26-21)16-29(13-12-28-10-4-5-11-28)24(31)27-22-7-3-2-6-20(22)25/h2-3,6-9,14-15H,4-5,10-13,16H2,1H3,(H,26,30)(H,27,31)
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n/an/a>3.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM7630
PNG
(cid_2193280)
Show SMILES S=C(N1CCOCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17NOS/c20-17(18-10-12-19-13-11-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
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n/an/a>3.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87302
PNG
(1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide | ...)
Show SMILES O=C(Nc1cccnc1)c1ccc(cc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H14N4O2/c23-17(21-15-3-1-9-19-11-15)13-5-7-14(8-6-13)18(24)22-16-4-2-10-20-12-16/h1-12H,(H,21,23)(H,22,24)
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6357
PNG
(cid_1216754)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
Show InChI InChI=1S/C24H17NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,26)(H,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87323
PNG
(9-Glycineamido-20(S)-camptothecin.HCl | MLS0007568...)
Show SMILES Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(NC(=O)CN)c4cc3Cn1c2=O
Show InChI InChI=1S/C22H20N4O5.ClH/c1-2-22(30)14-7-17-19-11(9-26(17)20(28)13(14)10-31-21(22)29)6-12-15(24-18(27)8-23)4-3-5-16(12)25-19;/h3-7,30H,2,8-10,23H2,1H3,(H,24,27);1H/t22-;/m0./s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63568
PNG
(2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES CCc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
Show InChI InChI=1S/C20H22N2O3S/c1-3-15-6-8-16(9-7-15)20-22-18(14(2)25-20)12-26-13-19(23)21-11-17-5-4-10-24-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5167
PNG
(cid_2151983)
Show SMILES Fc1ccc(COc2cccc3C(=O)N(Cc4ccccc4)CCc23)cc1
Show InChI InChI=1S/C23H20FNO2/c24-19-11-9-18(10-12-19)16-27-22-8-4-7-21-20(22)13-14-25(23(21)26)15-17-5-2-1-3-6-17/h1-12H,13-16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63348
PNG
(1-[4-(1-adamantyl)phenoxy]-3-[bis(2-hydroxyethyl)a...)
Show SMILES OCCN(CCO)CC(O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H35NO4/c25-7-5-24(6-8-26)15-21(27)16-28-22-3-1-20(2-4-22)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21,25-27H,5-16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM67623
PNG
(3-hydroxy-10-pyrido[1,2-a]indolecarbonitrile | 3-h...)
Show SMILES Oc1ccc2c(C#N)c3ccccn3c2c1
Show InChI InChI=1S/C13H8N2O/c14-8-11-10-5-4-9(16)7-13(10)15-6-2-1-3-12(11)15/h1-7,16H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63612
PNG
((2E)-2-[[4-(trifluoromethyl)anilino]methylene]-7,7...)
Show SMILES FC(F)(F)c1ccc(NC=C2SC3CCC(=O)N3C2=O)cc1
Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)8-1-3-9(4-2-8)18-7-10-13(21)19-11(20)5-6-12(19)22-10/h1-4,7,12,18H,5-6H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM5276
PNG
(cid_15945106)
Show SMILES Cc1noc(\C=C\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H21ClN4O5S/c1-14-20(18(31-25-14)6-5-17-3-2-12-30-17)32(28,29)26-10-8-15(9-11-26)21(27)24-19-7-4-16(22)13-23-19/h2-7,12-13,15H,8-11H2,1H3,(H,23,24,27)/b6-5+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4726
PNG
(cid_3145757)
Show SMILES [O-][N+](=O)c1cc(NC(=O)CSc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc(OCC(F)(F)C(F)F)c1
Show InChI InChI=1S/C20H13F7N4O4S2/c21-17(22)19(23,24)9-35-12-5-10(4-11(6-12)31(33)34)28-16(32)8-37-18-29-13(14-2-1-3-36-14)7-15(30-18)20(25,26)27/h1-7,17H,8-9H2,(H,28,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87269
PNG
(4-chloranyl-N-[2,2,2-tris(chloranyl)-1-(morpholin-...)
Show SMILES Clc1ccc(cc1)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C14H15Cl4N3O2S/c15-10-3-1-9(2-4-10)11(22)19-12(14(16,17)18)20-13(24)21-5-7-23-8-6-21/h1-4,12H,5-8H2,(H,19,22)(H,20,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM80503
PNG
(MLS000687217 | N-(2-methyl-3-octyl-1-phenyl-5-benz...)
Show SMILES CCCCCCCCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C24H31N3O/c1-4-5-6-7-8-12-17-26-20(3)27(22-13-10-9-11-14-22)23-16-15-21(18-24(23)26)25-19(2)28/h9-11,13-16,18H,4-8,12,17H2,1-3H3/p+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4391
PNG
(cid_2928869)
Show SMILES CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H27N3O5S/c1-27(35(31,32)23-5-3-2-4-6-23)22-10-8-21(9-11-22)26(30)29-15-13-28(14-16-29)18-20-7-12-24-25(17-20)34-19-33-24/h2-12,17H,13-16,18-19H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM42231
PNG
(MLS000584232 | N-[(2-hydroxy-2-isoamyl-5-methyl-he...)
Show SMILES COC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1
Show InChI InChI=1S/C20H32N2O4/c1-15(2)11-13-20(25,14-12-16(3)4)18(23)21-22(19(24)26-5)17-9-7-6-8-10-17/h6-10,15-16,25H,11-14H2,1-5H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM58977
PNG
(5-tert-Butyl-2-phenyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES CC(C)(C)c1cc(C(=O)NN=Cc2ccc(O)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)19-13-18(25(24-19)16-7-5-4-6-8-16)20(27)23-22-14-15-9-11-17(26)12-10-15/h4-14,26H,1-3H3,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87310
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene...)
Show SMILES CC(=O)C(=NNc1ccc2OCCOc2c1)C(C)=O
Show InChI InChI=1S/C13H14N2O4/c1-8(16)13(9(2)17)15-14-10-3-4-11-12(7-10)19-6-5-18-11/h3-4,7,14H,5-6H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM39037
PNG
(3-(3-p-phenetyl-1,2,4-oxadiazol-5-yl)propionic aci...)
Show SMILES CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1
Show InChI InChI=1S/C13H14N2O4/c1-2-18-10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4824
PNG
(cid_5151543)
Show SMILES CN1CCN(CC1)c1cccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C19H18N2O2/c1-20-9-11-21(12-10-20)16-8-4-7-15-17(16)19(23)14-6-3-2-5-13(14)18(15)22/h2-8H,9-12H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87317
PNG
(3-[(5Z)-5-(4-ethoxybenzylidene)-4-keto-2-thioxo-th...)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCC(O)=O)C2=O)cc1
Show InChI InChI=1S/C15H15NO4S2/c1-2-20-11-5-3-10(4-6-11)9-12-14(19)16(15(21)22-12)8-7-13(17)18/h3-6,9H,2,7-8H2,1H3,(H,17,18)/b12-9-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4385
PNG
(cid_5977496)
Show SMILES CC(=O)c1cc2c(C)cc(=O)oc2cc1O
Show InChI InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM82712
PNG
(2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(2-oxida...)
Show SMILES CC(O)Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3cccc(c3)C(C)=O)cc2oc1=O
Show InChI InChI=1S/C23H22ClNO6/c1-12(26)7-18-13(2)17-9-19(24)21(10-20(17)31-23(18)29)30-11-22(28)25-16-6-4-5-15(8-16)14(3)27/h4-6,8-10,12,26H,7,11H2,1-3H3,(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM81108
PNG
(Biphenyl-4-yl-[4-(2-hydroxy-ethyl)-piperazin-1-yl]...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H22N2OS/c22-15-14-20-10-12-21(13-11-20)19(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,22H,10-15H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM44529
PNG
(2-chloranyl-5-nitro-N-(5,6,7,8-tetrahydronaphthale...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc2CCCCc12
Show InChI InChI=1S/C17H15ClN2O3/c18-15-9-8-12(20(22)23)10-14(15)17(21)19-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10H,1-2,4,6H2,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM79412
PNG
((2E,5E)-2,5-bis(3,4-dimethoxybenzylidene)cyclopent...)
Show SMILES COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM72763
PNG
(2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)...)
Show SMILES CCOC(=O)CSc1cc(nc2ncnn12)-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c1-2-21-14(20)9-22-13-8-12(11-6-4-3-5-7-11)18-15-16-10-17-19(13)15/h3-8,10H,2,9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6779
PNG
(cid_4546489)
Show SMILES Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1Cc1cccs1
Show InChI InChI=1S/C19H19N3O4S/c1-12-6-7-18(19(20-12)22(24)25)26-11-17(23)16-9-13(2)21(14(16)3)10-15-5-4-8-27-15/h4-9H,10-11H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM59516
PNG
(2-({3-nitro-4-methylbenzoyl}amino)-5-methyl-4-phen...)
Show SMILES Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1
Show InChI InChI=1S/C20H17N3O4S/c1-11-8-9-14(10-15(11)23(26)27)19(25)22-20-17(18(21)24)16(12(2)28-20)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,21,24)(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4206
PNG
(cid_1469432)
Show SMILES CCC(C)(C)n1nnnc1CN1CCC(CC1)n1c(C)nc2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C21H28F3N7/c1-5-20(3,4)31-19(26-27-28-31)13-29-10-8-16(9-11-29)30-14(2)25-17-12-15(21(22,23)24)6-7-18(17)30/h6-7,12,16H,5,8-11,13H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87298
PNG
(MLS000689901 | N-(4-hydroxyphenyl)-4-[(5E)-4-keto-...)
Show SMILES Cc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O3S2/c1-14-4-6-15(7-5-14)13-18-20(26)23(21(27)28-18)12-2-3-19(25)22-16-8-10-17(24)11-9-16/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM47458
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(2-methoxyp...)
Show SMILES COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C19H17ClN2O3/c1-13(23)21-12-17(14-7-3-4-8-15(14)21)22(19(24)11-20)16-9-5-6-10-18(16)25-2/h3-10,12H,11H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87066
PNG
(2HBA | 3-[(5E)-4-keto-5-p-anisylidene-2-thioxo-thi...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)cc1
Show InChI InChI=1S/C14H13NO4S2/c1-19-10-4-2-9(3-5-10)8-11-13(18)15(14(20)21-11)7-6-12(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)/b11-8+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM4660
PNG
(cid_706653)
Show SMILES Nc1c(C#N)c(-c2ccccc2)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C19H11N5/c20-10-13-17(12-6-2-1-3-7-12)14(11-21)19-23-15-8-4-5-9-16(15)24(19)18(13)22/h1-9H,22H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63204
PNG
((2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)meth...)
Show SMILES Cc1cc(\C=C2/Cc3ccccc3C2=O)c(C)n1-c1ccccc1
Show InChI InChI=1S/C22H19NO/c1-15-12-18(16(2)23(15)20-9-4-3-5-10-20)14-19-13-17-8-6-7-11-21(17)22(19)24/h3-12,14H,13H2,1-2H3/b19-14+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM68834
PNG
(4-(2-Methyl-piperidin-1-yl)-quinazoline | 4-(2-met...)
Show SMILES CC1CCCCN1c1ncnc2ccccc12
Show InChI InChI=1S/C14H17N3/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14/h2-3,7-8,10-11H,4-6,9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6132
PNG
(cid_892451)
Show SMILES CCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H22N2S/c1-2-20-12-14-21(15-13-20)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63404
PNG
(2-chloranyl-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-...)
Show SMILES ClCC(=O)N1N=C(CC1c1ccco1)c1cccs1
Show InChI InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(11-3-1-5-18-11)7-9(15-16)12-4-2-6-19-12/h1-6,10H,7-8H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM6561
PNG
(cid_1949827)
Show SMILES CCc1c(C)nc2c(C)cccc2c1SCCC#N
Show InChI InChI=1S/C16H18N2S/c1-4-13-12(3)18-15-11(2)7-5-8-14(15)16(13)19-10-6-9-17/h5,7-8H,4,6,10H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%