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Compile Data Set for Download or QSAR

Found 694 hits Enz. Inhib. hit(s) with Target = 'nuclear receptor coactivator 3 isoform a'   
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 3 isoform a


(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 91.3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 93.0n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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>148n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/a>443n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 503n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 694n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 1.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 1.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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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n/an/a 1.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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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 3 isoform a


(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 1.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 1.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 1.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM71404
PNG
(1-[3,5-bis(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-c...)
Show SMILES ClCC(=O)N1N=C(CC1c1ccco1)c1ccco1
Show InChI InChI=1S/C13H11ClN2O3/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>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM75541
PNG
(2-[[5-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxa...)
Show SMILES Cc1cc(c(C)n1-c1ccccc1)-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1
Show InChI InChI=1S/C23H19F3N4O2S/c1-14-12-17(15(2)30(14)16-8-4-3-5-9-16)21-28-29-22(32-21)33-13-20(31)27-19-11-7-6-10-18(19)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)
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The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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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n/an/a 1.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 1.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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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 3 isoform a


(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 1.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Citation and Details
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 1.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 1.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 1.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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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 3 isoform a


(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 1.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 1.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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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 3 isoform a


(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 1.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(Homo sapiens)
BDBM87583
PNG
(1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenze...)
Show SMILES CN(C)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C16H15BrN4/c1-21(2)13-6-4-12(5-7-13)20-16-14-9-11(17)3-8-15(14)18-10-19-16/h3-10H,1-2H3,(H,18,19,20)
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n/an/a 2.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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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n/an/a 2.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.14E+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 3 isoform a


(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 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(Homo sapiens)
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(Homo sapiens)
BDBM87350
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1nc2n(cnc2c(=S)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(Homo sapiens)
BDBM4411
PNG
(4-Anilidoquinazoline deriv. 27a | N-(4-methoxyphen...)
Show SMILES COc1ccc(Nc2ncnc3ccc(C)cc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-11-3-8-15-14(9-11)16(18-10-17-15)19-12-4-6-13(20-2)7-5-12/h3-10H,1-2H3,(H,17,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(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 2.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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


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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM87262
PNG
(2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C24H18Cl2N4O2/c1-29-18-6-3-2-5-16(18)24(23(29)32)17(12-27)22(28)30(15-10-13(25)9-14(26)11-15)19-7-4-8-20(31)21(19)24/h2-3,5-6,9-11,17,28H,4,7-8H2,1H3
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n/an/a 2.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 2.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 2.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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


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More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(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 2.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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 3 isoform a


(Homo sapiens)
BDBM87585
PNG
(7-Ethyl-1,3-dimethyl-8-(4-propionyl-phenoxy)-3,7-d...)
Show SMILES CCC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC)cc1
Show InChI InChI=1S/C18H20N4O4/c1-5-13(23)11-7-9-12(10-8-11)26-17-19-15-14(22(17)6-2)16(24)21(4)18(25)20(15)3/h7-10H,5-6H2,1-4H3
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n/an/a 2.87E+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...


Citation and Details
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM87336
PNG
((6E)-3-methoxy-6-[4-(4-methoxyphenyl)-1,2-dihydrop...)
Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OC)cc1O
Show InChI InChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 2.89E+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 3 isoform a


(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 2.89E+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 3 isoform a


(Homo sapiens)
BDBM87355
PNG
(2-keto-1H-pyridine-3-carboxylic acid [2-keto-2-(4-...)
Show SMILES O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H21N3O4/c23-17(13-26-19(25)16-5-4-10-20-18(16)24)21-14-6-8-15(9-7-14)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,20,24)(H,21,23)
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n/an/a 2.90E+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...


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More data for this
Ligand-Target Pair
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