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Compile Data Set for Download or QSAR

Found 680 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor coactivator 1'   
Target
(Institution)
LigandTarget
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)
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of Src1


Citation and Details
More data for this
Ligand-Target Pair
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>49.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
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)

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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM63207
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-n...)
Show SMILES On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2/b17-15-
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n/an/a 812n/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...


Citation and Details
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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM51762
PNG
(IRINOTECAN HCl )trihydrate) | MLS001401366 | SMR00...)
Show SMILES O.Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C33H38N4O6.ClH.H2O/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H;1H2/t33-;;/m0../s1
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n/an/a 2.13E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87308
PNG
(4-[4-(1-benzimidazolyl)phenyl]-2-pyrimidinamine | ...)
Show SMILES Nc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21)
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n/an/a 2.23E+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...


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87345
PNG
(MLS001034533 | N-cyclopentyl-4-[(5Z)-4-keto-5-(4-m...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1
Show InChI InChI=1S/C20H24N2O2S2/c1-14-8-10-15(11-9-14)13-17-19(24)22(20(25)26-17)12-4-7-18(23)21-16-5-2-3-6-16/h8-11,13,16H,2-7,12H2,1H3,(H,21,23)/b17-13-
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n/an/a 3.26E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a 3.29E+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...


Citation and Details
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 3.43E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM36921
PNG
(6-cyclohexyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[3...)
Show SMILES COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1
Show InChI InChI=1S/C16H18N4OS/c1-21-13-9-5-8-12(10-13)14-17-18-16-20(14)19-15(22-16)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
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n/an/a 3.46E+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...


Citation and Details
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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n/an/a 3.67E+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...


Citation and Details
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)

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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n/an/a 3.78E+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...


Citation and Details
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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87278
PNG
(5-Bromo-nicotinic acid [1-(5-nitro-thiophen-2-yl)-...)
Show SMILES [O-][N+](=O)c1ccc(\C=N/NC(=O)c2cncc(Br)c2)s1
Show InChI InChI=1S/C11H7BrN4O3S/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-
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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM64729
PNG
(MLS001212967 | N-[(2,4-dichlorophenyl)-(8-hydroxy-...)
Show SMILES CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
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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...


Citation and Details
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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87341
PNG
(3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(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...


Citation and Details
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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87294
PNG
(MLS000729024 | N-(4-{[2-(3,4-diethoxyphenyl)acetyl...)
Show SMILES CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC
Show InChI InChI=1S/C23H24N2O5/c1-3-28-19-12-7-16(14-21(19)29-4-2)15-22(26)24-17-8-10-18(11-9-17)25-23(27)20-6-5-13-30-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 4.28E+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...


Citation and Details
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 4.39E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM41953
PNG
(4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N'-(4-methy...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Show InChI InChI=1S/C22H26N4O3S2/c1-14-11-15(2)13-26(12-14)31(28,29)18-9-7-17(8-10-18)21(27)24-25-22-23-20-16(3)5-4-6-19(20)30-22/h4-10,14-15H,11-13H2,1-3H3,(H,23,25)(H,24,27)
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n/an/a 4.52E+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...


Citation and Details
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)

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)

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)

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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM77578
PNG
(MLS001211345 | N-[(2,4-Dichloro-phenyl)-(8-hydroxy...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
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n/an/a 6.03E+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...


Citation and Details
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)

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 6.30E+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...


Citation and Details
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)

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)

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)

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)

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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n/an/a 6.96E+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...


Citation and Details
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)

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)

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)

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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87349
PNG
(MLS001159504 | N-(2-tert-butylphenyl)-1-(5,6-dimet...)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C
Show InChI InChI=1S/C24H30N4OS/c1-15-16(2)30-23-20(15)21(25-14-26-23)28-12-10-17(11-13-28)22(29)27-19-9-7-6-8-18(19)24(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,27,29)
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n/an/a 7.15E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM87286
PNG
(4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyr...)
Show SMILES Fc1ccccc1-c1cs\c(=N/c2cccnc2)n1CCCn1ccnc1
Show InChI InChI=1S/C20H18FN5S/c21-18-7-2-1-6-17(18)19-14-27-20(24-16-5-3-8-22-13-16)26(19)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-15H,4,10-11H2/b24-20-
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n/an/a 7.21E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM77529
PNG
(MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...)
Show SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
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n/an/a 7.24E+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...


Citation and Details
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 7.48E+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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50350406
PNG
(CHEMBL1572233 | cid_44142345)
Show SMILES CC(C)C(NC(C)=O)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C15H17ClN2O2/c1-8(2)13(18-9(3)19)11-7-12(16)10-5-4-6-17-14(10)15(11)20/h4-8,13,20H,1-3H3,(H,18,19)
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n/an/a 7.95E+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...


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/a 8.12E+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...


Citation and Details
More data for this
Ligand-Target Pair
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