Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'seltzman' and Initial = 'hh'   

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))	BDBM50176988 (8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.000350	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 CB1 receptor (unknown origin)				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					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 UniProtKB/TrEMBL 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 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor expressed in CHO cells				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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 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 UniProtKB/TrEMBL 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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114673 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.07	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 in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					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 UniProtKB/TrEMBL 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 CHO-K1 cells				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	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 Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50471438 (CHEMBL122884) Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC Show InChI InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21-	PDB UniProtKB/SwissProt 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
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane				J Med Chem 40: 3626-34 (1997) Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W
					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 UniProtKB/TrEMBL 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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50471436 (CHEMBL123120) Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(3,4)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(30)28-25(2)24-29/h8-9,12-15,20,23,25,29H,5-7,10-11,16-19,21-22,24H2,1-4H3,(H,28,30)/b9-8-,14-12-,15-13-,23-20-/t25-/m1/s1	PDB UniProtKB/SwissProt 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
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane				J Med Chem 40: 3626-34 (1997) Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W
					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 UniProtKB/TrEMBL 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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50060605 ((5Z,8Z,11Z,14Z)-16,16-Dimethyl-docosa-5,8,11,14-te...) Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG 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
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane				J Med Chem 40: 3626-34 (1997) Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W
					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 UniProtKB/TrEMBL 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 UniProtKB/TrEMBL 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 2 (Homo sapiens (Human))	BDBM50068669 (4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...) Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328956 (CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
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))	BDBM50534485 (CHEMBL4435655) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(F)cc12 Show InChI InChI=1S/C24H22FNO/c1-2-3-6-14-26-16-22(20-13-12-18(25)15-23(20)26)24(27)21-11-7-9-17-8-4-5-10-19(17)21/h4-5,7-13,15-16H,2-3,6,14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	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				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))	BDBM50212395 (CHEMBL123515) Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C27H27NO2/c1-29-27-11-10-20(24-7-4-5-9-26(24)27)18-22-19-21(23-6-2-3-8-25(22)23)12-13-28-14-16-30-17-15-28/h2-11,18-19H,12-17H2,1H3/b22-18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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				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 (Rattus norvegicus (rat))	BDBM50114673 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.46	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 in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					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 UniProtKB/TrEMBL 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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50056468 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid pr...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC Show InChI InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane				J Med Chem 40: 3626-34 (1997) Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534457 (CHEMBL4444832) Show SMILES CCCc1ccc(C(=O)c2cn(CCCCCF)c3cccc(F)c23)c2ccccc12 Show InChI InChI=1S/C27H27F2NO/c1-2-9-19-14-15-22(21-11-5-4-10-20(19)21)27(31)23-18-30(17-7-3-6-16-28)25-13-8-12-24(29)26(23)25/h4-5,8,10-15,18H,2-3,6-7,9,16-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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				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))	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 UniProtKB/TrEMBL 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 2 (Homo sapiens (Human))	BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2| Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2| Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534481 (CHEMBL4516360) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(F)c12 Show InChI InChI=1S/C24H22FNO/c1-2-3-6-15-26-16-21(19-12-8-14-22(25)23(19)26)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16H,2-3,6,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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))	BDBM50068669 (4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...) Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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))	BDBM50068669 (4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...) Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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))	BDBM50534481 (CHEMBL4516360) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(F)c12 Show InChI InChI=1S/C24H22FNO/c1-2-3-6-15-26-16-21(19-12-8-14-22(25)23(19)26)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16H,2-3,6,15H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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
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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50471437 (CHEMBL121384) Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOC Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(2,3)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(29)28-24-25-30-4/h8-9,12-15,20,23H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,28,29)/b9-8-,14-12-,15-13-,23-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane				J Med Chem 40: 3626-34 (1997) Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W
					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 UniProtKB/TrEMBL 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 UniProtKB/TrEMBL 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 2 (Homo sapiens (Human))	BDBM50212395 (CHEMBL123515) Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C27H27NO2/c1-29-27-11-10-20(24-7-4-5-9-26(24)27)18-22-19-21(23-6-2-3-8-25(22)23)12-13-28-14-16-30-17-15-28/h2-11,18-19H,12-17H2,1H3/b22-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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 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 2 (Homo sapiens (Human))	BDBM50534463 (CHEMBL4550629) Show SMILES C(CC1=C\C(=C/c2ccc3CCc4cccc2c34)c2ccccc12)N1CCOCC1 |t:2| Show InChI InChI=1S/C28H27NO/c1-2-6-26-24(19-23(25(26)5-1)12-13-29-14-16-30-17-15-29)18-22-11-10-21-9-8-20-4-3-7-27(22)28(20)21/h1-7,10-11,18-19H,8-9,12-17H2/b24-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	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 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))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	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				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))	BDBM50534498 (CHEMBL4474739) Show SMILES FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2c(F)cccc12 Show InChI InChI=1S/C24H21F2NO/c25-14-4-1-5-15-27-16-20(23-21(26)12-7-13-22(23)27)24(28)19-11-6-9-17-8-2-3-10-18(17)19/h2-3,6-13,16H,1,4-5,14-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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
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))	BDBM50328952 (CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.41	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))	BDBM50328956 (CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.56	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 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))	BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2| Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	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				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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50471435 (CHEMBL120428) Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H](C)CO Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(3,4)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(30)28-25(2)24-29/h8-9,12-15,20,23,25,29H,5-7,10-11,16-19,21-22,24H2,1-4H3,(H,28,30)/b9-8-,14-12-,15-13-,23-20-/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane				J Med Chem 40: 3626-34 (1997) Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328957 (CHEMBL1269773 | N-{9-[(9-Aminononyl)amino]nonyl}-5...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCN Show InChI InChI=1S/C35H50Cl3N5O/c1-27-33(42-43(32-21-20-30(37)26-31(32)38)34(27)28-16-18-29(36)19-17-28)35(44)41-25-15-11-7-3-6-10-14-24-40-23-13-9-5-2-4-8-12-22-39/h16-21,26,40H,2-15,22-25,39H2,1H3,(H,41,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.44	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]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

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