Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'near' and Initial = 'ke'   

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))	BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					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	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					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	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260767 (1-(5-(4-chlorophenyl)-6-(2-chloropyridin-4-yl)pyra...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccnc(Cl)c1)C(N)=O Show InChI InChI=1S/C23H24Cl2N6O/c1-2-29-23(22(26)32)8-11-31(12-9-23)19-14-28-20(15-3-5-17(24)6-4-15)21(30-19)16-7-10-27-18(25)13-16/h3-7,10,13-14,29H,2,8-9,11-12H2,1H3,(H2,26,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260805 (CHEMBL524804 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CCC(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C24H23ClF3N5O/c1-2-21(34)31-17-8-11-33(12-9-17)20-14-30-22(15-3-5-16(6-4-15)24(26,27)28)23(32-20)18-7-10-29-13-19(18)25/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260768 (1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O Show InChI InChI=1S/C24H24ClF3N6O/c1-2-32-23(22(29)35)8-11-34(12-9-23)19-14-31-20(15-3-5-17(6-4-15)24(26,27)28)21(33-19)16-7-10-30-18(25)13-16/h3-7,10,13-14,32H,2,8-9,11-12H2,1H3,(H2,29,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260682 (1-(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazi...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1Cl)C(N)=O Show InChI InChI=1S/C24H24Cl3N5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-5-16(25)6-4-15)22(31-20)18-8-7-17(26)13-19(18)27/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50258529 (CHEMBL449158 | bryostatin 1) Show SMILES CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC |r,t:43| Show InChI InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1	PDB MMDB 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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260803 (1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...) Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535777 (CHEMBL4565484) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC)cccc1OC)=C\C(=O)OC |r| Show InChI InChI=1S/C41H54O14/c1-7-8-9-10-11-15-34(43)54-38-27(22-36(45)50-6)20-28-23-29(24-42)53-35(44)18-19-51-31-17-16-26(37-32(48-4)13-12-14-33(37)49-5)21-30(31)39(46)52-25-40(2,3)41(38,47)55-28/h12-14,16-17,21-22,28-29,38,42,47H,7-11,15,18-20,23-25H2,1-6H3/b27-22+/t28-,29+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260718 (1-(6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccccc1Cl)C(N)=O Show InChI InChI=1S/C24H25Cl2N5O/c1-2-29-24(23(27)32)11-13-31(14-12-24)20-15-28-21(16-7-9-17(25)10-8-16)22(30-20)18-5-3-4-6-19(18)26/h3-10,15,29H,2,11-14H2,1H3,(H2,27,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260717 (1-(6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)pyrazi...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(F)cc2)c(n1)-c1ccc(Cl)cc1Cl)C(N)=O Show InChI InChI=1S/C24H24Cl2FN5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-6-17(27)7-4-15)22(31-20)18-8-5-16(25)13-19(18)26/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535778 (CHEMBL4533216) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC(C)C)cccc1OC(C)C)=C\C(=O)OC |r| Show InChI InChI=1S/C45H62O14/c1-9-10-11-12-13-17-38(47)58-42-31(24-40(49)52-8)22-32-25-33(26-46)57-39(48)20-21-53-35-19-18-30(23-34(35)43(50)54-27-44(6,7)45(42,51)59-32)41-36(55-28(2)3)15-14-16-37(41)56-29(4)5/h14-16,18-19,23-24,28-29,32-33,42,46,51H,9-13,17,20-22,25-27H2,1-8H3/b31-24+/t32-,33+,42-,45+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260804 (CHEMBL497556 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CC(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C23H21ClF3N5O/c1-14(33)30-17-7-10-32(11-8-17)20-13-29-21(15-2-4-16(5-3-15)23(25,26)27)22(31-20)18-6-9-28-12-19(18)24/h2-6,9,12-13,17H,7-8,10-11H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50260803 (1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...) Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535789 (CHEMBL4574406) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC(C)C)cc1)=C\C(=O)OC |r| Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-12-36(44)54-39-30(23-38(46)49-6)21-32-24-33(25-43)53-37(45)19-20-50-35-18-15-29(28-13-16-31(17-14-28)52-27(2)3)22-34(35)40(47)51-26-41(4,5)42(39,48)55-32/h13-18,22-23,27,32-33,39,43,48H,7-12,19-21,24-26H2,1-6H3/b30-23+/t32-,33+,39-,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535791 (CHEMBL4593581) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(C)noc1C)=C\C(=O)OC |r| Show InChI InChI=1S/C38H51NO13/c1-7-8-9-10-11-12-31(41)50-35-26(19-33(43)46-6)17-27-20-28(21-40)49-32(42)15-16-47-30-14-13-25(34-23(2)39-52-24(34)3)18-29(30)36(44)48-22-37(4,5)38(35,45)51-27/h13-14,18-19,27-28,35,40,45H,7-12,15-17,20-22H2,1-6H3/b26-19+/t27-,28+,35-,38+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260720 (1-(5,6-bis(4-ethoxyphenyl)pyrazin-2-yl)-4-(ethylam...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(OCC)cc2)c(n1)-c1ccc(OCC)cc1)C(N)=O Show InChI InChI=1S/C28H35N5O3/c1-4-31-28(27(29)34)15-17-33(18-16-28)24-19-30-25(20-7-11-22(12-8-20)35-5-2)26(32-24)21-9-13-23(14-10-21)36-6-3/h7-14,19,31H,4-6,15-18H2,1-3H3,(H2,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535790 (CHEMBL4536091) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC)=C\C(=O)OC |r| Show InChI InChI=1S/C41H52O14/c1-6-7-8-9-10-11-34(43)54-37-29(22-36(45)49-4)20-30-23-31(24-42)53-35(44)18-19-51-33-17-16-28(26-12-14-27(15-13-26)38(46)50-5)21-32(33)39(47)52-25-40(2,3)41(37,48)55-30/h12-17,21-22,30-31,37,42,48H,6-11,18-20,23-25H2,1-5H3/b29-22+/t30-,31+,37-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535785 (CHEMBL4526756) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC(C)C)=C\C(=O)OC |r| Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-16-36(44)54-39-29(23-38(46)49-6)21-30-24-31(25-43)53-37(45)19-20-50-34-18-17-28(32-14-12-13-15-35(32)52-27(2)3)22-33(34)40(47)51-26-41(4,5)42(39,48)55-30/h12-15,17-18,22-23,27,30-31,39,43,48H,7-11,16,19-21,24-26H2,1-6H3/b29-23+/t30-,31+,39-,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535782 (CHEMBL4576842) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc(c1)S(=O)(=O)N(CC)CC)=C\C(=O)OC |r| Show InChI InChI=1S/C43H59NO14S/c1-7-10-11-12-13-17-37(46)57-40-31(25-39(48)53-6)22-32-26-33(27-45)56-38(47)20-21-54-36-19-18-30(24-35(36)41(49)55-28-42(4,5)43(40,50)58-32)29-15-14-16-34(23-29)59(51,52)44(8-2)9-3/h14-16,18-19,23-25,32-33,40,45,50H,7-13,17,20-22,26-28H2,1-6H3/b31-25+/t32-,33+,40-,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535775 (CHEMBL4525186) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC)cc1)=C\C(=O)OC |r| Show InChI InChI=1S/C40H52O13/c1-6-7-8-9-10-11-34(42)52-37-28(22-36(44)48-5)20-30-23-31(24-41)51-35(43)18-19-49-33-17-14-27(26-12-15-29(47-4)16-13-26)21-32(33)38(45)50-25-39(2,3)40(37,46)53-30/h12-17,21-22,30-31,37,41,46H,6-11,18-20,23-25H2,1-5H3/b28-22+/t30-,31+,37-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535772 (CHEMBL4574986) Show SMILES CCCCCCCCc1ccc2OCCC(=O)O[C@@H](CO)C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(=O)CCCCCCC)[C@@](O)(O3)C(C)(C)COC(=O)c2c1 |r| Show InChI InChI=1S/C41H62O12/c1-6-8-10-12-14-15-17-29-19-20-34-33(23-29)39(46)50-28-40(3,4)41(47)38(52-35(43)18-16-13-11-9-7-2)30(25-37(45)48-5)24-31(53-41)26-32(27-42)51-36(44)21-22-49-34/h19-20,23,25,31-32,38,42,47H,6-18,21-22,24,26-28H2,1-5H3/b30-25+/t31-,32+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535776 (CHEMBL4550131) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC)=C\C(=O)OC |r| Show InChI InChI=1S/C40H52O13/c1-6-7-8-9-10-15-34(42)52-37-27(22-36(44)48-5)20-28-23-29(24-41)51-35(43)18-19-49-33-17-16-26(30-13-11-12-14-32(30)47-4)21-31(33)38(45)50-25-39(2,3)40(37,46)53-28/h11-14,16-17,21-22,28-29,37,41,46H,6-10,15,18-20,23-25H2,1-5H3/b27-22+/t28-,29+,37-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535786 (CHEMBL4542079) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)S(=O)(=O)N(CC)CC)=C\C(=O)OC |r| Show InChI InChI=1S/C43H59NO14S/c1-7-10-11-12-13-14-37(46)57-40-31(25-39(48)53-6)23-32-26-33(27-45)56-38(47)21-22-54-36-20-17-30(24-35(36)41(49)55-28-42(4,5)43(40,50)58-32)29-15-18-34(19-16-29)59(51,52)44(8-2)9-3/h15-20,24-25,32-33,40,45,50H,7-14,21-23,26-28H2,1-6H3/b31-25+/t32-,33+,40-,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535780 (CHEMBL4560593) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC(C)C)=C\C(=O)OC |r| Show InChI InChI=1S/C43H56O14/c1-7-8-9-10-11-12-36(45)56-39-31(23-38(47)51-6)21-32-24-33(25-44)55-37(46)19-20-52-35-18-17-30(28-13-15-29(16-14-28)40(48)54-27(2)3)22-34(35)41(49)53-26-42(4,5)43(39,50)57-32/h13-18,22-23,27,32-33,39,44,50H,7-12,19-21,24-26H2,1-6H3/b31-23+/t32-,33+,39-,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535781 (CHEMBL4535813) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)N(CC)CC)=C\C(=O)OC |r| Show InChI InChI=1S/C44H59NO13/c1-7-10-11-12-13-14-37(47)57-40-32(25-39(49)53-6)23-33-26-34(27-46)56-38(48)21-22-54-36-20-19-31(29-15-17-30(18-16-29)41(50)45(8-2)9-3)24-35(36)42(51)55-28-43(4,5)44(40,52)58-33/h15-20,24-25,33-34,40,46,52H,7-14,21-23,26-28H2,1-6H3/b32-25+/t33-,34+,40-,44+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535788 (CHEMBL4564420) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1)=C\C(=O)OC |r| Show InChI InChI=1S/C39H50O12/c1-5-6-7-8-12-15-33(41)50-36-28(22-35(43)46-4)20-29-23-30(24-40)49-34(42)18-19-47-32-17-16-27(26-13-10-9-11-14-26)21-31(32)37(44)48-25-38(2,3)39(36,45)51-29/h9-11,13-14,16-17,21-22,29-30,36,40,45H,5-8,12,15,18-20,23-25H2,1-4H3/b28-22+/t29-,30+,36-,39+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260766 (1-(5-(4-chlorophenyl)-6-(pyridin-4-yl)pyrazin-2-yl...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccncc1)C(N)=O Show InChI InChI=1S/C23H25ClN6O/c1-2-28-23(22(25)31)9-13-30(14-10-23)19-15-27-20(16-3-5-18(24)6-4-16)21(29-19)17-7-11-26-12-8-17/h3-8,11-12,15,28H,2,9-10,13-14H2,1H3,(H2,25,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535779 (CHEMBL4519769) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc2[nH]ccc12)=C\C(=O)OC |r| Show InChI InChI=1S/C41H51NO12/c1-5-6-7-8-9-13-35(44)53-38-27(22-37(46)49-4)20-28-23-29(24-43)52-36(45)17-19-50-34-15-14-26(30-11-10-12-33-31(30)16-18-42-33)21-32(34)39(47)51-25-40(2,3)41(38,48)54-28/h10-12,14-16,18,21-22,28-29,38,42-43,48H,5-9,13,17,19-20,23-25H2,1-4H3/b27-22+/t28-,29+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260719 (1-(6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(OCC)cc2)c(n1)-c1ccccc1Cl)C(N)=O Show InChI InChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535771 (CHEMBL4541641) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C33H46O12/c1-5-6-7-8-9-14-27(35)44-30-22(18-29(37)40-4)17-23-19-24(20-34)43-28(36)15-16-41-26-13-11-10-12-25(26)31(38)42-21-32(2,3)33(30,39)45-23/h10-13,18,23-24,30,34,39H,5-9,14-17,19-21H2,1-4H3/b22-18+/t23-,24+,30-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535774 (CHEMBL4559327) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(Br)cc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C33H45BrO12/c1-5-6-7-8-9-10-27(36)45-30-21(16-29(38)41-4)15-23-18-24(19-35)44-28(37)13-14-42-26-12-11-22(34)17-25(26)31(39)43-20-32(2,3)33(30,40)46-23/h11-12,16-17,23-24,30,35,40H,5-10,13-15,18-20H2,1-4H3/b21-16+/t23-,24+,30-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260765 (1-(5-(4-chlorophenyl)-6-(4-cyanophenyl)pyrazin-2-y...) Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(cc1)C#N)C(N)=O Show InChI InChI=1S/C25H25ClN6O/c1-2-30-25(24(28)33)11-13-32(14-12-25)21-16-29-22(18-7-9-20(26)10-8-18)23(31-21)19-5-3-17(15-27)4-6-19/h3-10,16,30H,2,11-14H2,1H3,(H2,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535787 (CHEMBL4550478) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc2[nH]ccc2c1)=C\C(=O)OC |r| Show InChI InChI=1S/C41H51NO12/c1-5-6-7-8-9-10-35(44)53-38-29(22-37(46)49-4)20-30-23-31(24-43)52-36(45)16-18-50-34-14-12-27(26-11-13-33-28(19-26)15-17-42-33)21-32(34)39(47)51-25-40(2,3)41(38,48)54-30/h11-15,17,19,21-22,30-31,38,42-43,48H,5-10,16,18,20,23-25H2,1-4H3/b29-22+/t30-,31+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	815	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535773 (CHEMBL4575057) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](COC(=O)NCc3ccccc3)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C41H53NO13/c1-5-6-7-8-12-19-34(43)54-37-29(23-36(45)49-4)22-30-24-31(26-51-39(47)42-25-28-15-10-9-11-16-28)53-35(44)20-21-50-33-18-14-13-17-32(33)38(46)52-27-40(2,3)41(37,48)55-30/h9-11,13-18,23,30-31,37,48H,5-8,12,19-22,24-27H2,1-4H3,(H,42,47)/b29-23+/t30-,31+,37-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535784 (CHEMBL4212128) Show SMILES [H][C@@]12C\C(=C/C(=O)OC)[C@H](OC(=O)CCCCCCC)[C@@](O)(O1)C(C)(C)COC(=O)c1ccccc1OCCC(=O)O[C@@H](COC)C2 |r| Show InChI InChI=1S/C34H48O12/c1-6-7-8-9-10-15-28(35)45-31-23(19-30(37)41-5)18-24-20-25(21-40-4)44-29(36)16-17-42-27-14-12-11-13-26(27)32(38)43-22-33(2,3)34(31,39)46-24/h11-14,19,24-25,31,39H,6-10,15-18,20-22H2,1-5H3/b23-19+/t24-,25+,31-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535783 (CHEMBL4482943) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](COC(C)=O)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C35H48O13/c1-6-7-8-9-10-15-29(37)47-32-24(19-31(39)42-5)18-25-20-26(21-44-23(2)36)46-30(38)16-17-43-28-14-12-11-13-27(28)33(40)45-22-34(3,4)35(32,41)48-25/h11-14,19,25-26,32,41H,6-10,15-18,20-22H2,1-5H3/b24-19+/t25-,26+,32-,35+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50260803 (1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...) Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					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	n/a	n/a	1.35	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260803 (1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...) Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair