Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'fulp' and Initial = 'a'   

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))	BDBM192521 (US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...) Show SMILES NC(=O)C1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(2.32,2.42,;.83,2.02,;-.25,3.11,;.44,.53,;-.9,1.3,;-2.23,.53,;-2.23,-1.01,;-.9,-1.78,;.44,-1.01,;-3.72,-1.4,;-4.81,-.32,;-6.3,-.71,;-6.69,-2.2,;-5.6,-3.29,;-5.69,-4.83,;-4.25,-5.38,;-3.28,-4.18,;-4.12,-2.89,;-3.85,-6.87,;-4.94,-7.96,;-4.54,-9.44,;-3.05,-9.84,;-1.96,-8.75,;-2.36,-7.27,;-1.27,-6.18,;-7.02,-5.6,;-8.35,-4.83,;-9.69,-5.6,;-9.69,-7.14,;-11.02,-7.91,;-8.35,-7.91,;-7.02,-7.14,;1.92,.13,;2.32,-1.35,;3.81,-1.75,;4.9,-.66,;4.5,.83,;3.01,1.22,)| Show InChI InChI=1S/C30H25Cl2N5O/c31-21-10-12-22(13-11-21)37-27(23-8-4-5-9-24(23)32)36-26-25(34-18-35-28(26)37)19-14-16-30(17-15-19,29(33)38)20-6-2-1-3-7-20/h1-13,18-19H,14-17H2,(H2,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383388 (CHEMBL2030738) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1 Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399518 (CHEMBL2180214) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C28H24Cl2N6O2S/c29-19-10-12-21(13-11-19)36-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)36)35-16-14-20(15-17-35)34-39(37,38)22-6-2-1-3-7-22/h1-13,18,20,34H,14-17H2	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
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192536 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H28Cl2N6O/c29-19-9-11-21(12-10-19)36-25(22-7-3-4-8-23(22)30)34-24-26(31-17-32-27(24)36)35-15-13-20(14-16-35)33-28(37)18-5-1-2-6-18/h3-4,7-12,17-18,20H,1-2,5-6,13-16H2,(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399523 (CHEMBL2180205) Show SMILES CC(C)(C)OC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28Cl2N6O2/c1-27(2,3)37-26(36)32-18-12-14-34(15-13-18)24-22-25(31-16-30-24)35(19-10-8-17(28)9-11-19)23(33-22)20-6-4-5-7-21(20)29/h4-11,16,18H,12-15H2,1-3H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192536 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H28Cl2N6O/c29-19-9-11-21(12-10-19)36-25(22-7-3-4-8-23(22)30)34-24-26(31-17-32-27(24)36)35-15-13-20(14-16-35)33-28(37)18-5-1-2-6-18/h3-4,7-12,17-18,20H,1-2,5-6,13-16H2,(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399534 (CHEMBL2180215) Show SMILES NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C29H24Cl2N6O/c30-20-10-12-21(13-11-20)37-25(22-8-4-5-9-23(22)31)35-24-26(33-18-34-27(24)37)36-16-14-29(15-17-36,28(32)38)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H2,32,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192521 (US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...) Show SMILES NC(=O)C1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(2.32,2.42,;.83,2.02,;-.25,3.11,;.44,.53,;-.9,1.3,;-2.23,.53,;-2.23,-1.01,;-.9,-1.78,;.44,-1.01,;-3.72,-1.4,;-4.81,-.32,;-6.3,-.71,;-6.69,-2.2,;-5.6,-3.29,;-5.69,-4.83,;-4.25,-5.38,;-3.28,-4.18,;-4.12,-2.89,;-3.85,-6.87,;-4.94,-7.96,;-4.54,-9.44,;-3.05,-9.84,;-1.96,-8.75,;-2.36,-7.27,;-1.27,-6.18,;-7.02,-5.6,;-8.35,-4.83,;-9.69,-5.6,;-9.69,-7.14,;-11.02,-7.91,;-8.35,-7.91,;-7.02,-7.14,;1.92,.13,;2.32,-1.35,;3.81,-1.75,;4.9,-.66,;4.5,.83,;3.01,1.22,)| Show InChI InChI=1S/C30H25Cl2N5O/c31-21-10-12-22(13-11-21)37-27(23-8-4-5-9-24(23)32)36-26-25(34-18-35-28(26)37)19-14-16-30(17-15-19,29(33)38)20-6-2-1-3-7-20/h1-13,18-19H,14-17H2,(H2,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50144618 (CHEMBL3758534) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C24H20Cl3F3N4O2/c1-13-20(22(35)31-17-8-10-33(11-9-17)23(36)24(28,29)30)32-34(19-7-6-16(26)12-18(19)27)21(13)14-2-4-15(25)5-3-14/h2-7,12,17H,8-11H2,1H3,(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192534 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)CC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C30H32Cl2N6O/c31-21-10-12-23(13-11-21)38-28(24-8-4-5-9-25(24)32)36-27-29(33-19-34-30(27)38)37-16-14-22(15-17-37)35-26(39)18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192534 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)CC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C30H32Cl2N6O/c31-21-10-12-23(13-11-21)38-28(24-8-4-5-9-25(24)32)36-27-29(33-19-34-30(27)38)37-16-14-22(15-17-37)35-26(39)18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192538 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)CC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H30Cl2N6O/c30-20-9-11-22(12-10-20)37-27(23-7-3-4-8-24(23)31)35-26-28(32-18-33-29(26)37)36-15-13-21(14-16-36)34-25(38)17-19-5-1-2-6-19/h3-4,7-12,18-19,21H,1-2,5-6,13-17H2,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192538 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)CC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H30Cl2N6O/c30-20-9-11-22(12-10-20)37-27(23-7-3-4-8-24(23)31)35-26-28(32-18-33-29(26)37)36-15-13-21(14-16-36)34-25(38)17-19-5-1-2-6-19/h3-4,7-12,18-19,21H,1-2,5-6,13-17H2,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192530 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)c1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C29H24Cl2N6O/c30-20-10-12-22(13-11-20)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-21(15-17-36)34-29(38)19-6-2-1-3-7-19/h1-13,18,21H,14-17H2,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50493599 (CHEMBL2436755) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)Oc1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C29H24Cl2N6O2/c30-19-10-12-21(13-11-19)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-20(15-17-36)34-29(38)39-22-6-2-1-3-7-22/h1-13,18,20H,14-17H2,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192537 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES CC(C)CCC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H30Cl2N6O/c1-18(2)7-12-24(37)33-20-13-15-35(16-14-20)27-25-28(32-17-31-27)36(21-10-8-19(29)9-11-21)26(34-25)22-5-3-4-6-23(22)30/h3-6,8-11,17-18,20H,7,12-16H2,1-2H3,(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192537 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES CC(C)CCC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H30Cl2N6O/c1-18(2)7-12-24(37)33-20-13-15-35(16-14-20)27-25-28(32-17-31-27)36(21-10-8-19(29)9-11-21)26(34-25)22-5-3-4-6-23(22)30/h3-6,8-11,17-18,20H,7,12-16H2,1-2H3,(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383402 (CHEMBL2030754) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C27H29Cl3N4O3/c1-16-23(25(35)31-20-11-13-33(14-12-20)26(36)37-27(2,3)4)32-34(22-10-9-19(29)15-21(22)30)24(16)17-5-7-18(28)8-6-17/h5-10,15,20H,11-14H2,1-4H3,(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192532 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H30Cl2N6O/c30-20-10-12-22(13-11-20)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-21(15-17-36)34-29(38)19-6-2-1-3-7-19/h4-5,8-13,18-19,21H,1-3,6-7,14-17H2,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192532 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H30Cl2N6O/c30-20-10-12-22(13-11-20)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-21(15-17-36)34-29(38)19-6-2-1-3-7-19/h4-5,8-13,18-19,21H,1-3,6-7,14-17H2,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383388 (CHEMBL2030738) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1 Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383388 (CHEMBL2030738) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1 Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192529 (US9187480, ethyl N-{1-[8-(2-chlorophenyl)-9-(4-chl...) Show SMILES CCOC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N6O2/c1-2-35-25(34)30-17-11-13-32(14-12-17)23-21-24(29-15-28-23)33(18-9-7-16(26)8-10-18)22(31-21)19-5-3-4-6-20(19)27/h3-10,15,17H,2,11-14H2,1H3,(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192529 (US9187480, ethyl N-{1-[8-(2-chlorophenyl)-9-(4-chl...) Show SMILES CCOC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N6O2/c1-2-35-25(34)30-17-11-13-32(14-12-17)23-21-24(29-15-28-23)33(18-9-7-16(26)8-10-18)22(31-21)19-5-3-4-6-20(19)27/h3-10,15,17H,2,11-14H2,1H3,(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192535 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES CC(C)CC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28Cl2N6O/c1-17(2)15-23(36)32-19-11-13-34(14-12-19)26-24-27(31-16-30-26)35(20-9-7-18(28)8-10-20)25(33-24)21-5-3-4-6-22(21)29/h3-10,16-17,19H,11-15H2,1-2H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192535 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES CC(C)CC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28Cl2N6O/c1-17(2)15-23(36)32-19-11-13-34(14-12-19)26-24-27(31-16-30-26)35(20-9-7-18(28)8-10-20)25(33-24)21-5-3-4-6-22(21)29/h3-10,16-17,19H,11-15H2,1-2H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192528 (US9187480, N-tert-butyl-1-[8-(2-chlorophenyl)-9-(4...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C33H32Cl2N6O/c1-32(2,3)39-31(42)33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192527 (US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES CC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C30H26Cl2N6O/c1-20(39)36-30(21-7-3-2-4-8-21)15-17-37(18-16-30)28-26-29(34-19-33-28)38(23-13-11-22(31)12-14-23)27(35-26)24-9-5-6-10-25(24)32/h2-14,19H,15-18H2,1H3,(H,36,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192531 (US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...) Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192531 (US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...) Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399531 (CHEMBL2180218) Show SMILES CS(=O)(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C29H26Cl2N6O2S/c1-40(38,39)35-29(20-7-3-2-4-8-20)15-17-36(18-16-29)27-25-28(33-19-32-27)37(22-13-11-21(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h2-14,19,35H,15-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					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	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					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	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192526 (US9187480, N-{4-[8-(2-chlorophenyl)-9-(4-chlorophe...) Show SMILES CS(=O)(=O)NC1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(3.5,1.51,;2.17,2.28,;2.94,3.62,;1.4,3.62,;.83,1.51,;.44,.03,;-.9,.8,;-2.23,.03,;-2.23,-1.51,;-.9,-2.28,;.44,-1.51,;-3.56,-2.28,;-4.9,-1.51,;-6.23,-2.28,;-6.23,-3.82,;-4.9,-4.59,;-4.58,-6.1,;-3.05,-6.26,;-2.42,-4.85,;-3.56,-3.82,;-2.28,-7.59,;-3.05,-8.93,;-2.28,-10.26,;-.74,-10.26,;.03,-8.93,;-.74,-7.59,;.03,-6.26,;-5.67,-7.19,;-7.15,-6.79,;-8.24,-7.88,;-7.85,-9.37,;-8.93,-10.46,;-6.36,-9.77,;-5.27,-8.68,;1.92,-.37,;2.32,-1.86,;3.81,-2.26,;4.9,-1.17,;4.5,.32,;3.01,.72,)| Show InChI InChI=1S/C30H27Cl2N5O2S/c1-40(38,39)36-30(21-7-3-2-4-8-21)17-15-20(16-18-30)26-27-29(34-19-33-26)37(23-13-11-22(31)12-14-23)28(35-27)24-9-5-6-10-25(24)32/h2-14,19-20,36H,15-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50144619 (CHEMBL3759785) Show SMILES CC(C)OC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H27Cl3N4O3/c1-15(2)36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(3)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)14-21(22)29/h4-9,14-15,20H,10-13H2,1-3H3,(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399533 (CHEMBL2180216 | US9187480, tert-butyl N-{1-[8-(2-c...) Show SMILES CC(C)(C)OC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C33H32Cl2N6O2/c1-32(2,3)43-31(42)39-33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399533 (CHEMBL2180216 | US9187480, tert-butyl N-{1-[8-(2-c...) Show SMILES CC(C)(C)OC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C33H32Cl2N6O2/c1-32(2,3)43-31(42)39-33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383386 (CHEMBL2029362) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1 Show InChI InChI=1S/C29H27Cl3N4O3S/c1-19-26(28(37)35-16-14-29(15-17-35,34-40(2,38)39)21-6-4-3-5-7-21)33-36(25-13-12-23(31)18-24(25)32)27(19)20-8-10-22(30)11-9-20/h3-13,18,34H,14-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50144614 (CHEMBL3758884) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-26(28(37)33-23-13-15-35(16-14-23)29(38)20-5-3-2-4-6-20)34-36(25-12-11-22(31)17-24(25)32)27(18)19-7-9-21(30)10-8-19/h2-12,17,23H,13-16H2,1H3,(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383399 (CHEMBL2030751) Show SMILES CCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1 Show InChI InChI=1S/C32H32Cl3N5O2/c1-3-17-36-31(42)37-32(23-7-5-4-6-8-23)15-18-39(19-16-32)30(41)28-21(2)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)20-26(27)35/h4-14,20H,3,15-19H2,1-2H3,(H2,36,37,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50354809 (CHEMBL1834021) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)| Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 5711-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50144609 (CHEMBL3759222) Show SMILES CCCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H27Cl3N4O3/c1-3-14-36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(2)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)15-21(22)29/h4-9,15,20H,3,10-14H2,1-2H3,(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383387 (CHEMBL2030765) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-10-19(11-13-31)29-24(33)22-15(2)23(16-4-6-17(26)7-5-16)32(30-22)21-9-8-18(27)14-20(21)28/h4-9,14,19H,3,10-13H2,1-2H3,(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50144615 (CHEMBL3759255) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C28H29Cl3N4O2/c1-17-25(27(36)32-22-12-14-34(15-13-22)28(37)19-4-2-3-5-19)33-35(24-11-10-21(30)16-23(24)31)26(17)18-6-8-20(29)9-7-18/h6-11,16,19,22H,2-5,12-15H2,1H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50144612 (CHEMBL3759254) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)S(=O)(=O)CCC(F)(F)F Show InChI InChI=1S/C25H24Cl3F3N4O3S/c1-15-22(24(36)32-19-8-11-34(12-9-19)39(37,38)13-10-25(29,30)31)33-35(21-7-6-18(27)14-20(21)28)23(15)16-2-4-17(26)5-3-16/h2-7,14,19H,8-13H2,1H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50399532 (CHEMBL2180217) Show SMILES NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C28H24Cl2N6/c29-20-10-12-21(13-11-20)36-25(22-8-4-5-9-23(22)30)34-24-26(32-18-33-27(24)36)35-16-14-28(31,15-17-35)19-6-2-1-3-7-19/h1-13,18H,14-17,31H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50354809 (CHEMBL1834021) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)| Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 5711-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192525 (US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...) Show SMILES NC1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(.83,2.57,;.44,1.08,;-.9,1.85,;-2.23,1.08,;-2.23,-.46,;-.9,-1.23,;.44,-.46,;-3.56,-1.23,;-4.9,-.46,;-6.23,-1.23,;-6.23,-2.77,;-4.9,-3.54,;-4.58,-5.05,;-3.05,-5.21,;-2.42,-3.8,;-3.56,-2.77,;-2.28,-6.54,;-3.05,-7.88,;-2.28,-9.21,;-.74,-9.21,;.03,-7.88,;-.74,-6.54,;.03,-5.21,;-5.67,-6.14,;-7.15,-5.74,;-8.24,-6.83,;-7.85,-8.32,;-8.93,-9.4,;-6.36,-8.71,;-5.27,-7.62,;1.92,.68,;2.32,-.81,;3.81,-1.21,;4.9,-.12,;4.5,1.37,;3.01,1.77,)| Show InChI InChI=1S/C29H25Cl2N5/c30-21-10-12-22(13-11-21)36-27(23-8-4-5-9-24(23)31)35-26-25(33-18-34-28(26)36)19-14-16-29(32,17-15-19)20-6-2-1-3-7-20/h1-13,18-19H,14-17,32H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50383413 (CHEMBL2030933) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H23Cl3N4O3S/c1-14-21(23(31)27-18-4-3-11-29(13-18)34(2,32)33)28-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,27,31)/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50140231 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 5711-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ
					More data for this Ligand-Target Pair

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