Compile Data Set for Download or QSAR

Found 1769 hits with Last Name = 'xiong' and Initial = 'b'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312599 (CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312597 (CHEMBL1093377 | N-Cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=S)NC2CCCCC2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C24H29Cl2N3S/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50242582 (4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human glucocorticoid receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312602 (CHEMBL1091814 | N-cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Oc3ccccc3)cc2)c(Cl)c1 Show InChI InChI=1S/C30H33Cl2N3O2/c31-23-13-16-27(28(32)21-23)29(22-11-14-26(15-12-22)37-25-9-5-2-6-10-25)34-17-19-35(20-18-34)30(36)33-24-7-3-1-4-8-24/h2,5-6,9-16,21,24,29H,1,3-4,7-8,17-20H2,(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312603 (CHEMBL1084429 | N-cyclohexyl-4-{(2,4-dichloropheny...) Show SMILES FC(F)(F)c1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H28Cl2F3N3O/c26-19-10-11-21(22(27)16-19)23(17-6-8-18(9-7-17)25(28,29)30)32-12-14-33(15-13-32)24(34)31-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312596 (4-[(2,4-Dichlorophenyl)(phenyl)methyl]-N-piperidin...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NN2CCCCC2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C23H28Cl2N4O/c24-19-9-10-20(21(25)17-19)22(18-7-3-1-4-8-18)27-13-15-28(16-14-27)23(30)26-29-11-5-2-6-12-29/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312582 (CHEMBL1088728 | N-Cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C24H29Cl2N3O/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312586 (4-[(4-bromo-2-fluorophenyl)(phenyl)methyl]-N-cyclo...) Show SMILES Fc1cc(Br)ccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1 Show InChI InChI=1S/C24H29BrFN3O/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312585 (CHEMBL1087250 | N-cyclohexyl-4-[(2,6-dichloropheny...) Show SMILES Clc1cccc(Cl)c1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1 Show InChI InChI=1S/C24H29Cl2N3O/c25-20-12-7-13-21(26)22(20)23(18-8-3-1-4-9-18)28-14-16-29(17-15-28)24(30)27-19-10-5-2-6-11-19/h1,3-4,7-9,12-13,19,23H,2,5-6,10-11,14-17H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312598 (4-[(3-chlorophenyl)(2,4-dichlorophenyl)methyl]-N-c...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2cccc(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C24H28Cl3N3O/c25-18-6-4-5-17(15-18)23(21-10-9-19(26)16-22(21)27)29-11-13-30(14-12-29)24(31)28-20-7-2-1-3-8-20/h4-6,9-10,15-16,20,23H,1-3,7-8,11-14H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321202 (CHEMBL1163602 | rac-3-(4-Nitrophenylamino)-1-(4-cy...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C#N)c2ccsc2)cc1 Show InChI InChI=1S/C20H15N3O3S/c21-12-14-1-3-15(4-2-14)20(24)11-19(16-9-10-27-13-16)22-17-5-7-18(8-6-17)23(25)26/h1-10,13,19,22H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312604 (CHEMBL1084695 | N-cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H28Cl2FN3O/c25-18-8-11-21(22(26)16-18)23(17-6-9-19(27)10-7-17)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312601 (CHEMBL1091813 | N-cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES COc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H31Cl2N3O2/c1-32-21-10-7-18(8-11-21)24(22-12-9-19(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-20-5-3-2-4-6-20/h7-12,17,20,24H,2-6,13-16H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312600 (4-[(2,4-Dichlorophenyl)(p-tolyl)methyl]-N-piperidi...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NN1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H30Cl2N4O/c1-18-5-7-19(8-6-18)23(21-10-9-20(25)17-22(21)26)28-13-15-29(16-14-28)24(31)27-30-11-3-2-4-12-30/h5-10,17,23H,2-4,11-16H2,1H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312588 (4-[(2-fluoro-4-chlorophenyl)(phenyl)methyl]-N-cycl...) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1 Show InChI InChI=1S/C24H29ClFN3O/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312591 (1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phe...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCCC2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O/c25-20-11-12-21(22(26)17-20)23(18-7-3-1-4-8-18)27-13-15-28(16-14-27)24(29)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312584 (CHEMBL1087874 | N-cyclohexyl-4-((2,5-dichloropheny...) Show SMILES Clc1ccc(Cl)c(c1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1 Show InChI InChI=1S/C24H29Cl2N3O/c25-19-11-12-22(26)21(17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312592 (1-(1-adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)c(Cl)c1 |TLB:12:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17.16.21:19| Show InChI InChI=1S/C28H32Cl2N2O/c29-23-6-7-24(25(30)15-23)26(22-4-2-1-3-5-22)31-8-10-32(11-9-31)27(33)28-16-19-12-20(17-28)14-21(13-19)18-28/h1-7,15,19-21,26H,8-14,16-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321197 (CHEMBL1163480 | rac-3-(4-Nitrophenylamino)-1-(4-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23ClN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312587 (4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cycl...) Show SMILES Fc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C24H29ClFN3O/c25-22-17-19(26)11-12-21(22)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321198 (CHEMBL1163481 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23FN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321199 (CHEMBL1163485 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23FN2O3/c22-17-8-4-7-16(13-17)21(25)14-20(15-5-2-1-3-6-15)23-18-9-11-19(12-10-18)24(26)27/h4,7-13,15,20,23H,1-3,5-6,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321211 (CHEMBL1163529 | rac-3-(4-Nitrophenylamino)-1-(3,4-...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)c(Cl)c2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H22Cl2N2O3/c22-18-11-6-15(12-19(18)23)21(26)13-20(14-4-2-1-3-5-14)24-16-7-9-17(10-8-16)25(27)28/h6-12,14,20,24H,1-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321196 (CHEMBL1164752 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23BrN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321201 (CHEMBL1164379 | rac-3-(4-Nitrophenylamino)-3-(thio...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccsc1 Show InChI InChI=1S/C20H18N2O3S/c1-14-2-4-15(5-3-14)20(23)12-19(16-10-11-26-13-16)21-17-6-8-18(9-7-17)22(24)25/h2-11,13,19,21H,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321182 (CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321200 (CHEMBL1163484 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O4/c1-28-20-9-5-8-17(14-20)22(25)15-21(16-6-3-2-4-7-16)23-18-10-12-19(13-11-18)24(26)27/h5,8-14,16,21,23H,2-4,6-7,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321195 (CHEMBL1164858 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O3/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)23-19-11-13-20(14-12-19)24(26)27/h7-14,17,21,23H,2-6,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321212 (CHEMBL1165353 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H24N2O3/c24-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)22-18-11-13-19(14-12-18)23(25)26/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321180 (CHEMBL1163899 | rac-3-(4-Nitrophenylamino)-3-(4-(t...) Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O4/c1-32-20-12-4-16(5-13-20)22(29)14-21(15-2-6-17(7-3-15)23(24,25)26)27-18-8-10-19(11-9-18)28(30)31/h2-13,21,27H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321184 (CHEMBL1163746 | rac-3-(4-Nitrophenylamino)-1-(4-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16ClFN2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321203 (CHEMBL1163604 | rac-3-(4-Nitrophenylamino)-3-pheny...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 Show InChI InChI=1S/C22H20N2O3/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)23-19-11-13-20(14-12-19)24(26)27/h2-14,21,23H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50149232 (3-(5-(2-acetamido-3-(4-(carboxy-N-(2-carboxyphenyl...) Show SMILES CC(=O)NC(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem 16: 7399-409 (2008) Article DOI: 10.1016/j.bmc.2008.06.014 BindingDB Entry DOI: 10.7270/Q2PC325T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50321177 (CHEMBL1163597 | rac-3-(4-Nitrophenylamino)-1-(3-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16ClFN2O3/c22-16-5-1-4-15(11-16)21(26)13-20(14-3-2-6-17(23)12-14)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321220 ((-)-R-3-(4-Nitrophenylamino)-3-(3-fluorophenyl)-1-...) Show SMILES Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312592 (1-(1-adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...) Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)c(Cl)c1 |TLB:12:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17.16.21:19| Show InChI InChI=1S/C28H32Cl2N2O/c29-23-6-7-24(25(30)15-23)26(22-4-2-1-3-5-22)31-8-10-32(11-9-31)27(33)28-16-19-12-20(17-28)14-21(13-19)18-28/h1-7,15,19-21,26H,8-14,16-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50242582 (4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321213 (CHEMBL1164248 | rac-3-(4-Nitrophenylamino)-1-(4-ph...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)C2CCCCC2)cc1 Show InChI InChI=1S/C27H28N2O3/c30-27(23-13-11-21(12-14-23)20-7-3-1-4-8-20)19-26(22-9-5-2-6-10-22)28-24-15-17-25(18-16-24)29(31)32/h1,3-4,7-8,11-18,22,26,28H,2,5-6,9-10,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321178 (CHEMBL1163644 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16F2N2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321179 (CHEMBL1163898 | rac-3-(4-Nitrophenylamino)-3-(4-(t...) Show SMILES COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O4/c1-32-20-4-2-3-16(13-20)22(29)14-21(15-5-7-17(8-6-15)23(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h2-13,21,27H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321220 ((-)-R-3-(4-Nitrophenylamino)-3-(3-fluorophenyl)-1-...) Show SMILES Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321208 (CHEMBL1163976 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 Show InChI InChI=1S/C22H19FN2O3/c1-15-4-2-6-17(12-15)22(26)14-21(16-5-3-7-18(23)13-16)24-19-8-10-20(11-9-19)25(27)28/h2-13,21,24H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321196 (CHEMBL1164752 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23BrN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321210 (CHEMBL1163645 | rac-3-(4-Nitrophenylamino)-1-(3-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Br)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16BrFN2O3/c22-16-5-1-4-15(11-16)21(26)13-20(14-3-2-6-17(23)12-14)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair

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