Compile Data Set for Download or QSAR

Found 1714 hits with Last Name = 'fan' and Initial = 'g'   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519618 (CHEMBL4465718) Show SMILES [H][C@@]12CC[C@H]1CN1C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc13)C(=O)NS(=O)(=O)[C@H](C)CCCC[C@@H]2O |r| Show InChI InChI=1S/C31H39ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h9-10,12-13,15-16,20,23,25,28,35H,2-8,11,14,17-19H2,1H3,(H,33,36)/t20-,23+,25-,28+,31+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]-BH-JMV-179 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388407 (CHEMBL2058825) Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C27H35N3O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)26-28-24-19-13-12-18-23(24)25(29-26)22-16-10-9-11-17-22/h9-13,16-19H,3-8,14-15,20-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM220447 (US10633379, Compound X | US9296741, 36) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD2 BD1 to BD2 (G73 to A560 residues) (unknown origin)				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
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))	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))	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220447 (US10633379, Compound X | US9296741, 36) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220432 (US9296741, 21) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human placental aldose reductase				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388424 (CHEMBL2059062) Show SMILES CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388426 (CHEMBL2059064) Show SMILES CC[C@@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-8-6-5-7-16(17)18(23-19)14-9-11-15(21)12-10-14/h5-13H,4H2,1-3H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50388423 (CHEMBL2059061) Show SMILES CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM220447 (US10633379, Compound X | US9296741, 36) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					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
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB 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
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220415 (US9296741, 4) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50388406 (CHEMBL2058824) Show SMILES CCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H31N3O/c1-3-5-12-18-28(19-13-6-4-2)25(29)24-26-22-17-11-10-16-21(22)23(27-24)20-14-8-7-9-15-20/h7-11,14-17H,3-6,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50388425 (CHEMBL2059063) Show SMILES CC[C@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-8-6-5-7-16(17)18(23-19)14-9-11-15(21)12-10-14/h5-13H,4H2,1-3H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50388413 (CHEMBL2059048) Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-8-6-5-7-16(17)18(23-19)14-9-11-15(21)12-10-14/h5-13H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220433 (US9296741, 22) Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H22N4O4S/c1-25(2)31(28,29)24-15-9-10-20(30-16-7-5-4-6-8-16)18(13-15)19-14-26(3)22(27)21-17(19)11-12-23-21/h4-14,23-24H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388401 (CHEMBL2058819) Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C20H21N3O/c1-4-14(2)23(3)20(24)19-21-17-13-9-8-12-16(17)18(22-19)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					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
Translocator protein (Rattus norvegicus (rat))	BDBM50388408 (CHEMBL2059040) Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220445 (US9296741, 34) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388405 (CHEMBL2058823) Show SMILES CCCCN(CCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C23H27N3O/c1-3-5-16-26(17-6-4-2)23(27)22-24-20-15-11-10-14-19(20)21(25-22)18-12-8-7-9-13-18/h7-15H,3-6,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50241749 (CHEMBL4098055) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H20ClN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)22(27)21-17(19)10-11-24-21/h4-13,24-25H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388417 (CHEMBL2059051) Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C27H34ClN3O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)26-29-24-14-10-9-13-23(24)25(30-26)21-15-17-22(28)18-16-21/h9-10,13-18H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220506 (US9296741, 95) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220468 (US9296741, 57) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H25N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h8-13,15,22-23H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360273 (CHEMBL1933100) Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220434 (US9296741, 23) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-8-9-21-18(15)20(24)25)16-10-13(23-29(2,26)27)11-22-19(16)28-14-6-4-3-5-7-14/h3-12,21,23H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50388420 (CHEMBL2059055) Show SMILES CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C27H33Cl2N3O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)26-30-24-16-15-22(29)19-23(24)25(31-26)20-11-13-21(28)14-12-20/h11-16,19H,3-10,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay				J Med Chem 55: 4506-10 (2012) Article DOI: 10.1021/jm201703k BindingDB Entry DOI: 10.7270/Q2TB1806
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220416 (US9296741, 5) Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-18(16-9-10-26-20(16)21(28)29)17-11-14(27-33(30,31)13-22(23,24)25)7-8-19(17)32-15-5-3-2-4-6-15/h2-12,26-27H,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220438 (US9296741, 27) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220496 (US9296741, 85) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for its inhibitory activity against human placental aldose reductase				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					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
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB 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
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-SR-27897 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					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

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