Compile Data Set for Download or QSAR

Found 1439 hits with Last Name = 'maitra' and Initial = 'r'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50045775 ((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...) Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor expressed in CHO cells				J Med Chem 57: 7367-81 (2014) Article DOI: 10.1021/jm5008177 BindingDB Entry DOI: 10.7270/Q21R6S5J
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50521920 (CHEMBL4469545) Show SMILES CC(C)(C)CC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H30Cl2N6O/c1-28(2,3)16-23(37)33-19-12-14-35(15-13-19)26-24-27(32-17-31-26)36(20-10-8-18(29)9-11-20)25(34-24)21-6-4-5-7-22(21)30/h4-11,17,19H,12-16H2,1-3H3,(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516264 (CHEMBL4463013) Show SMILES COCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O2/c1-34(15-16-38-2)27(37)32-19-11-13-35(14-12-19)25-23-26(31-17-30-25)36(20-9-7-18(28)8-10-20)24(33-23)21-5-3-4-6-22(21)29/h3-10,17,19H,11-16H2,1-2H3,(H,32,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					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	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))	BDBM50521917 (CHEMBL4520650) Show SMILES Fc1ccccc1S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H23Cl2FN6O2S/c29-18-9-11-20(12-10-18)37-26(21-5-1-2-6-22(21)30)34-25-27(32-17-33-28(25)37)36-15-13-19(14-16-36)35-40(38,39)24-8-4-3-7-23(24)31/h1-12,17,19,35H,13-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	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 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					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))	BDBM50463404 (CHEMBL4244751) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)CC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H28Cl2N6O/c29-20-9-11-21(12-10-20)36-26(22-7-3-4-8-23(22)30)33-25-27(31-18-32-28(25)36)35-15-13-34(14-16-35)24(37)17-19-5-1-2-6-19/h3-4,7-12,18-19H,1-2,5-6,13-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463413 (CHEMBL4242477) Show SMILES CCCCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H26Cl2N6O2S/c1-2-3-16-36(34,35)32-14-12-31(13-15-32)24-22-25(29-17-28-24)33(19-10-8-18(26)9-11-19)23(30-22)20-6-4-5-7-21(20)27/h4-11,17H,2-3,12-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50521900 (CHEMBL4580498) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)OC1CCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H26Cl2N6O2/c28-17-8-10-19(11-9-17)35-24(21-6-1-2-7-22(21)29)33-23-25(30-16-31-26(23)35)34-14-12-18(13-15-34)32-27(36)37-20-4-3-5-20/h1-2,6-11,16,18,20H,3-5,12-15H2,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	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 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM27337 (1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...) Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	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 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					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	0.700	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 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534464 (CHEMBL4483714) Show SMILES CCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.790	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 CB2 receptor				J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516261 (CHEMBL4466640) Show SMILES CC(C)CN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H31Cl2N7O/c1-18(2)16-35(3)28(38)33-20-12-14-36(15-13-20)26-24-27(32-17-31-26)37(21-10-8-19(29)9-11-21)25(34-24)22-6-4-5-7-23(22)30/h4-11,17-18,20H,12-16H2,1-3H3,(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534464 (CHEMBL4483714) Show SMILES CCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.859	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				J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516262 (CHEMBL4567690) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NCC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C30H33Cl2N7O/c31-21-10-12-23(13-11-21)39-27(24-8-4-5-9-25(24)32)37-26-28(34-19-35-29(26)39)38-16-14-22(15-17-38)36-30(40)33-18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H2,33,36,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516249 (CHEMBL4524602) Show SMILES CCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O/c1-3-14-34(2)27(37)32-19-12-15-35(16-13-19)25-23-26(31-17-30-25)36(20-10-8-18(28)9-11-20)24(33-23)21-6-4-5-7-22(21)29/h4-11,17,19H,3,12-16H2,1-2H3,(H,32,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50461710 (CHEMBL4225147) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H23Cl3N6/c29-20-8-10-22(11-9-20)37-26(23-6-1-2-7-24(23)31)34-25-27(32-18-33-28(25)37)36-14-12-35(13-15-36)17-19-4-3-5-21(30)16-19/h1-11,16,18H,12-15,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50521897 (CHEMBL4567814) Show SMILES Fc1ccccc1C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2FN6O/c30-18-9-11-20(12-10-18)38-26(21-5-1-3-7-23(21)31)36-25-27(33-17-34-28(25)38)37-15-13-19(14-16-37)35-29(39)22-6-2-4-8-24(22)32/h1-12,17,19H,13-16H2,(H,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.980	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 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463410 (CHEMBL4250064) Show SMILES FC(F)(F)C(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H17Cl2F3N6O/c24-14-5-7-15(8-6-14)34-19(16-3-1-2-4-17(16)25)31-18-20(29-13-30-21(18)34)32-9-11-33(12-10-32)22(35)23(26,27)28/h1-8,13H,9-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534476 (CHEMBL4443660) Show SMILES CCCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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 CB2 receptor				J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014619 (CHEMBL3184840) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	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 [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115237 BindingDB Entry DOI: 10.7270/Q2J67MJX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50461703 (CHEMBL4225421) Show SMILES Clc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H23Cl3N6/c29-20-7-5-19(6-8-20)17-35-13-15-36(16-14-35)27-25-28(33-18-32-27)37(22-11-9-21(30)10-12-22)26(34-25)23-3-1-2-4-24(23)31/h1-12,18H,13-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50461698 (CHEMBL4227354) Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C29H26Cl2N6/c1-20(21-7-3-2-4-8-21)35-15-17-36(18-16-35)28-26-29(33-19-32-28)37(23-13-11-22(30)12-14-23)27(34-26)24-9-5-6-10-25(24)31/h2-14,19-20H,15-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516238 (CHEMBL4578966) Show SMILES CCCN(CC(F)(F)F)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2F3N7O/c1-2-13-39(16-28(31,32)33)27(41)36-19-11-14-38(15-12-19)25-23-26(35-17-34-25)40(20-9-7-18(29)8-10-20)24(37-23)21-5-3-4-6-22(21)30/h3-10,17,19H,2,11-16H2,1H3,(H,36,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					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	1.18	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 HEK293 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516250 (CHEMBL4450173) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-8-10-21(11-9-19)37-25(22-6-2-3-7-23(22)30)34-24-26(31-18-32-27(24)37)35-16-12-20(13-17-35)33-28(38)36-14-4-1-5-15-36/h2-3,6-11,18,20H,1,4-5,12-17H2,(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534476 (CHEMBL4443660) Show SMILES CCCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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				J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2
					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))	BDBM50463403 (CHEMBL4248795) Show SMILES CCCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24Cl2N6O2S/c1-2-15-35(33,34)31-13-11-30(12-14-31)23-21-24(28-16-27-23)32(18-9-7-17(25)8-10-18)22(29-21)19-5-3-4-6-20(19)26/h3-10,16H,2,11-15H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463398 (CHEMBL4238756) Show SMILES FC(F)(F)CCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21Cl2F3N6O2S/c25-16-5-7-17(8-6-16)35-21(18-3-1-2-4-19(18)26)32-20-22(30-15-31-23(20)35)33-10-12-34(13-11-33)38(36,37)14-9-24(27,28)29/h1-8,15H,9-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516237 (CHEMBL4533562) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H31Cl2N7O/c30-19-10-12-22(13-11-19)38-26(23-8-4-5-9-24(23)31)36-25-27(32-18-33-28(25)38)37-16-14-21(15-17-37)35-29(39)34-20-6-2-1-3-7-20/h4-5,8-13,18,20-21H,1-3,6-7,14-17H2,(H2,34,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	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 HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463414 (CHEMBL4246283) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)NC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-10-12-21(13-11-19)37-25(22-8-4-5-9-23(22)30)34-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)33-20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463417 (CHEMBL4244992) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24Cl2N6O2S/c1-16(2)35(33,34)31-13-11-30(12-14-31)23-21-24(28-15-27-23)32(18-9-7-17(25)8-10-18)22(29-21)19-5-3-4-6-20(19)26/h3-10,15-16H,11-14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					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))	BDBM50521905 (CHEMBL4440527) Show SMILES FC(F)Oc1ccc(cn1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1F)-c1ccccc1Cl Show InChI InChI=1S/C28H23ClF3N7O3S/c29-20-6-2-1-5-19(20)25-36-24-26(34-16-35-27(24)39(25)18-9-10-23(33-15-18)42-28(31)32)38-13-11-17(12-14-38)37-43(40,41)22-8-4-3-7-21(22)30/h1-10,15-17,28,37H,11-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	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 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463419 (CHEMBL4244624) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)S(=O)(=O)CC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H30Cl2N6O2S/c29-21-10-12-22(13-11-21)36-26(23-8-4-5-9-24(23)30)33-25-27(31-19-32-28(25)36)34-14-16-35(17-15-34)39(37,38)18-20-6-2-1-3-7-20/h4-5,8-13,19-20H,1-3,6-7,14-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50521892 (CHEMBL4590762) Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H22Cl2F2N6O2S/c29-17-5-7-19(8-6-17)38-26(21-3-1-2-4-22(21)30)35-25-27(33-16-34-28(25)38)37-13-11-18(12-14-37)36-41(39,40)20-9-10-23(31)24(32)15-20/h1-10,15-16,18,36H,11-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	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 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					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))	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))	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	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))	BDBM50521921 (CHEMBL4472410) Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2FN6O/c30-19-7-11-22(12-8-19)38-26(23-3-1-2-4-24(23)31)36-25-27(33-17-34-28(25)38)37-15-13-21(14-16-37)35-29(39)18-5-9-20(32)10-6-18/h1-12,17,21H,13-16H2,(H,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 27: 3632-3649 (2019) Article DOI: 10.1016/j.bmc.2019.07.002 BindingDB Entry DOI: 10.7270/Q2GT5RKV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50461688 (CHEMBL4225049) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H28Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463423 (CHEMBL4249233) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)C1CCSCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H26Cl2N6OS/c28-19-5-7-20(8-6-19)35-24(21-3-1-2-4-22(21)29)32-23-25(30-17-31-26(23)35)33-11-13-34(14-12-33)27(36)18-9-15-37-16-10-18/h1-8,17-18H,9-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463422 (CHEMBL4248778) Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28Cl2N6O/c1-27(2,3)16-22(36)33-12-14-34(15-13-33)25-23-26(31-17-30-25)35(19-10-8-18(28)9-11-19)24(32-23)20-6-4-5-7-21(20)29/h4-11,17H,12-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50463418 (CHEMBL4238314) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H26Cl2N6O2S/c1-17(2)15-36(34,35)32-13-11-31(12-14-32)24-22-25(29-16-28-24)33(19-9-7-18(26)8-10-19)23(30-22)20-5-3-4-6-21(20)27/h3-10,16-17H,11-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 HEK293 cell membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem 26: 4518-4531 (2018) Article DOI: 10.1016/j.bmc.2018.07.043 BindingDB Entry DOI: 10.7270/Q2VM4FW4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50461705 (CHEMBL4226777) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccccc2)CC1)-c1ccccc1Cl Show InChI InChI=1S/C29H26Cl2N6/c30-22-10-12-23(13-11-22)37-27(24-8-4-5-9-25(24)31)34-26-28(32-20-33-29(26)37)36-18-16-35(17-19-36)15-14-21-6-2-1-3-7-21/h1-13,20H,14-19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
					More data for this Ligand-Target Pair

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