Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'hartnett' and Initial = 'jc'   

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 2 (Homo sapiens (Human))	BDBM50234418 ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50234418 ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340312 ((2,3-dichlorophenyl)(1-((4,4-difluoropiperidin-1-y...) Show SMILES FC1(F)CCN(Cc2nc(C(=O)c3cccc(Cl)c3Cl)n3ccccc23)CC1 Show InChI InChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2	PDB 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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340311 ((3-fluoro-2-(trifluoromethyl)phenyl)(1-(morpholino...) Show SMILES Fc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1C(F)(F)F Show InChI InChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340313 (1-((4,4-difluoropiperidin-1-yl)methyl)-N-(6-(trifl...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2nc(CN3CCC(F)(F)CC3)c3ccccn23)n1 Show InChI InChI=1S/C20H18F5N5O/c21-19(22)7-10-29(11-8-19)12-13-14-4-1-2-9-30(14)17(26-13)18(31)28-16-6-3-5-15(27-16)20(23,24)25/h1-6,9H,7-8,10-12H2,(H,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340315 (3-((4,4-difluoropiperidin-1-yl)methyl)-N-((1-(hydr...) Show SMILES OCC1(CNC(=O)c2nc(CN3CCC(F)(F)CC3)n3ccccc23)CCCC1 Show InChI InChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24876 (2-{5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H30N8S/c1-42-33-35-20-26-19-27(23-7-3-2-4-8-23)29(36-30(26)38-33)24-12-10-22(11-13-24)21-41-17-14-25(15-18-41)31-37-32(40-39-31)28-9-5-6-16-34-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,37,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24883 (1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)n2ncc3c(N)ncnc23)cc1 Show InChI InChI=1S/C31H29N9S/c1-41-31-33-16-23-15-25(21-5-3-2-4-6-21)27(37-29(23)38-31)22-9-7-20(8-10-22)18-39-13-11-24(12-14-39)40-30-26(17-36-40)28(32)34-19-35-30/h2-10,15-17,19,24H,11-14,18H2,1H3,(H2,32,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24875 (4-{3-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccncc2)cc1 Show InChI InChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340310 ((2,3-dichlorophenyl)(1-(morpholinomethyl)imidazo[1...) Show SMILES Clc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1Cl Show InChI InChI=1S/C19H17Cl2N3O2/c20-14-5-3-4-13(17(14)21)18(25)19-22-15(12-23-8-10-26-11-9-23)16-6-1-2-7-24(16)19/h1-7H,8-12H2	PDB 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24880 (CHEMBL252857 | N-methyl-6-phenyl-7-[4-({4-[5-(pyri...) Show SMILES CNc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H31N9/c1-34-33-36-20-26-19-27(23-7-3-2-4-8-23)29(37-30(26)39-33)24-12-10-22(11-13-24)21-42-17-14-25(15-18-42)31-38-32(41-40-31)28-9-5-6-16-35-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,38,40,41)(H,34,36,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24879 (6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triaz...) Show SMILES NC(=O)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H29N9O/c34-29(43)33-36-19-25-18-26(22-6-2-1-3-7-22)28(37-30(25)38-33)23-11-9-21(10-12-23)20-42-16-13-24(14-17-42)31-39-32(41-40-31)27-8-4-5-15-35-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,34,43)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340316 (3-cyclopropyl-N-(dicyclopropylmethyl)imidazo[1,5-a...) Show SMILES O=C(NC(C1CC1)C1CC1)c1nc(C2CC2)n2ccccc12 Show InChI InChI=1S/C18H21N3O/c22-18(20-15(11-4-5-11)12-6-7-12)16-14-3-1-2-10-21(14)17(19-16)13-8-9-13/h1-3,10-13,15H,4-9H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24872 (5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc(N)s2)cc1 Show InChI InChI=1S/C28H27N7S2/c1-36-28-30-16-22-15-23(19-5-3-2-4-6-19)24(31-25(22)32-28)20-9-7-18(8-10-20)17-35-13-11-21(12-14-35)26-33-34-27(29)37-26/h2-10,15-16,21H,11-14,17H2,1H3,(H2,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24873 (1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyr...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(=O)Nc2ccncc2)cc1 Show InChI InChI=1S/C32H30N6OS/c1-40-32-34-20-26-19-28(23-5-3-2-4-6-23)29(36-30(26)37-32)24-9-7-22(8-10-24)21-38-17-13-25(14-18-38)31(39)35-27-11-15-33-16-12-27/h2-12,15-16,19-20,25H,13-14,17-18,21H2,1H3,(H,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50340310 ((2,3-dichlorophenyl)(1-(morpholinomethyl)imidazo[1...) Show SMILES Clc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1Cl Show InChI InChI=1S/C19H17Cl2N3O2/c20-14-5-3-4-13(17(14)21)18(25)19-22-15(12-23-8-10-26-11-9-23)16-6-1-2-7-24(16)19/h1-7H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24882 (7-{4-[(4-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl...) Show SMILES Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2nc3ncnc(N)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)26(38-29(24)35-17-33-27)21-8-6-19(7-9-21)16-39-12-10-22(11-13-39)40-30-25(15-37-40)28(32)34-18-36-30/h1-9,14-15,17-18,22H,10-13,16H2,(H2,32,34,36)(H2,31,33,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24867 (1-(2-aminophenyl)-3-[({4-[2-(methylsulfanyl)-6-phe...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCC(=O)c2ccccc2N)cc1 Show InChI InChI=1S/C30H27N5OS/c1-37-30-33-19-23-17-25(21-7-3-2-4-8-21)28(34-29(23)35-30)22-13-11-20(12-14-22)18-32-16-15-27(36)24-9-5-6-10-26(24)31/h2-14,17,19,32H,15-16,18,31H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24881 (7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperid...) Show SMILES Nc1ncnc2nc(-c3ccc(CN4CCC(CC4)c4nc5ccc(F)cc5[nH]4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C32H28FN7/c33-24-10-11-27-28(16-24)38-31(37-27)23-12-14-40(15-13-23)18-20-6-8-22(9-7-20)29-25(21-4-2-1-3-5-21)17-26-30(34)35-19-36-32(26)39-29/h1-11,16-17,19,23H,12-15,18H2,(H,37,38)(H2,34,35,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340318 ((R)-3-morpholino-N-(2,2,2-trifluoro-1-(pyridin-2-y...) Show SMILES FC(F)(F)[C@H](NC(=O)c1nc(N2CCOCC2)n2ccccc12)c1ccccn1 |r| Show InChI InChI=1S/C19H18F3N5O2/c20-19(21,22)16(13-5-1-3-7-23-13)25-17(28)15-14-6-2-4-8-27(14)18(24-15)26-9-11-29-12-10-26/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340317 (3-cyclopropyl-N-neopentylimidazo[1,5-a]pyridine-1-...) Show SMILES CC(C)(C)CNC(=O)c1nc(C2CC2)n2ccccc12 Show InChI InChI=1S/C16H21N3O/c1-16(2,3)10-17-15(20)13-12-6-4-5-9-19(12)14(18-13)11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24887 (2,3,5-trisubstituted pyridine, 10c | 5-{5-phenyl-6...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C32H29N9S/c33-32-40-39-31(42-32)25-18-26(22-6-2-1-3-7-22)28(35-19-25)23-11-9-21(10-12-23)20-41-16-13-24(14-17-41)29-36-30(38-37-29)27-8-4-5-15-34-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,33,40)(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24890 (2,3,5-trisubstituted pyridine, 10f | 5-(6-{4-[(4-{...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3ncc4c(N)ncnc34)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C30H28N10S/c31-27-25-16-36-40(28(25)35-18-34-27)23-10-12-39(13-11-23)17-19-6-8-21(9-7-19)26-24(20-4-2-1-3-5-20)14-22(15-33-26)29-37-38-30(32)41-29/h1-9,14-16,18,23H,10-13,17H2,(H2,32,38)(H2,31,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24877 (2-(5-{1-[(4-{2-methoxy-6-phenylpyrido[2,3-d]pyrimi...) Show SMILES COc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H30N8O/c1-42-33-35-20-26-19-27(23-7-3-2-4-8-23)29(36-30(26)38-33)24-12-10-22(11-13-24)21-41-17-14-25(15-18-41)31-37-32(40-39-31)28-9-5-6-16-34-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,37,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23.6	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24878 (6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triaz...) Show SMILES N#Cc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H27N9/c34-19-29-36-20-26-18-27(23-6-2-1-3-7-23)30(38-31(26)37-29)24-11-9-22(10-12-24)21-42-16-13-25(14-17-42)32-39-33(41-40-32)28-8-4-5-15-35-28/h1-12,15,18,20,25H,13-14,16-17,21H2,(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24876 (2-{5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H30N8S/c1-42-33-35-20-26-19-27(23-7-3-2-4-8-23)29(36-30(26)38-33)24-12-10-22(11-13-24)21-41-17-14-25(15-18-41)31-37-32(40-39-31)28-9-5-6-16-34-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,37,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24886 (2,3,5-trisubstituted pyridine, 10b | 5-{5-phenyl-6...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3cc(n[nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C33H30N8S/c34-33-40-39-32(42-33)26-18-27(23-6-2-1-3-7-23)31(36-20-26)25-11-9-22(10-12-25)21-41-16-13-24(14-17-41)29-19-30(38-37-29)28-8-4-5-15-35-28/h1-12,15,18-20,24H,13-14,16-17,21H2,(H2,34,40)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24868 (1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyr...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(N)=O)cc1 Show InChI InChI=1S/C27H27N5OS/c1-34-27-29-16-22-15-23(19-5-3-2-4-6-19)24(30-26(22)31-27)20-9-7-18(8-10-20)17-32-13-11-21(12-14-32)25(28)33/h2-10,15-16,21H,11-14,17H2,1H3,(H2,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24892 (2,3,5-trisubstituted pyridine, 10h | 3-[({4-[5-(5-...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CNCCC(=O)c3ccccc3N)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C29H26N6OS/c30-25-9-5-4-8-23(25)26(36)14-15-32-17-19-10-12-21(13-11-19)27-24(20-6-2-1-3-7-20)16-22(18-33-27)28-34-35-29(31)37-28/h1-13,16,18,32H,14-15,17,30H2,(H2,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340319 (CHEMBL1760939 | N-((1-(hydroxymethyl)cyclopentyl)m...) Show SMILES OCC1(CNC(=O)c2nc(N3CCOCC3)n3ccccc23)CCCC1 Show InChI InChI=1S/C19H26N4O3/c24-14-19(6-2-3-7-19)13-20-17(25)16-15-5-1-4-8-23(15)18(21-16)22-9-11-26-12-10-22/h1,4-5,8,24H,2-3,6-7,9-14H2,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24879 (6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triaz...) Show SMILES NC(=O)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H29N9O/c34-29(43)33-36-19-25-18-26(22-6-2-1-3-7-22)28(37-30(25)38-33)23-11-9-21(10-12-23)20-42-16-13-24(14-17-42)31-39-32(41-40-31)27-8-4-5-15-35-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,34,43)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340321 ((R)-1-(4,4-difluoropiperidin-1-yl)-N-(3,3-dimethyl...) Show SMILES C[C@@H](NC(=O)c1nc(N2CCC(F)(F)CC2)c2cnccn12)C(C)(C)C |r| Show InChI InChI=1S/C18H25F2N5O/c1-12(17(2,3)4)22-16(26)15-23-14(13-11-21-7-10-25(13)15)24-8-5-18(19,20)6-9-24/h7,10-12H,5-6,8-9H2,1-4H3,(H,22,26)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24885 (2,3,5-trisubstituted pyridine, 10a | 5-{5-phenyl-6...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3cc(n[nH]3)-c3ccncc3)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C33H30N8S/c34-33-40-39-32(42-33)27-18-28(23-4-2-1-3-5-23)31(36-20-27)26-8-6-22(7-9-26)21-41-16-12-25(13-17-41)30-19-29(37-38-30)24-10-14-35-15-11-24/h1-11,14-15,18-20,25H,12-13,16-17,21H2,(H2,34,40)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340314 (1-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N-[6-(tr...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2nc(CN3CCS(=O)(=O)CC3)c3ccccn23)n1 Show InChI InChI=1S/C19H18F3N5O3S/c20-19(21,22)15-5-3-6-16(24-15)25-18(28)17-23-13(14-4-1-2-7-27(14)17)12-26-8-10-31(29,30)11-9-26/h1-7H,8-12H2,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24883 (1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)n2ncc3c(N)ncnc23)cc1 Show InChI InChI=1S/C31H29N9S/c1-41-31-33-16-23-15-25(21-5-3-2-4-6-21)27(37-29(23)38-31)22-9-7-20(8-10-22)18-39-13-11-24(12-14-39)40-30-26(17-36-40)28(32)34-19-35-30/h2-10,15-17,19,24H,11-14,18H2,1H3,(H2,32,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24866 (5-{2-[({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nnc(N)s2)cc1 Show InChI InChI=1S/C25H23N7S2/c1-33-25-28-15-19-13-20(17-5-3-2-4-6-17)22(29-23(19)30-25)18-9-7-16(8-10-18)14-27-12-11-21-31-32-24(26)34-21/h2-10,13,15,27H,11-12,14H2,1H3,(H2,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24889 (2,3,5-trisubstituted pyridine, 10e | 5-{5-phenyl-6...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3cc(cn3)-c3cnccn3)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C32H29N9S/c33-32-39-38-31(42-32)25-16-28(23-4-2-1-3-5-23)30(36-17-25)24-8-6-22(7-9-24)20-40-14-10-27(11-15-40)41-21-26(18-37-41)29-19-34-12-13-35-29/h1-9,12-13,16-19,21,27H,10-11,14-15,20H2,(H2,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24875 (4-{3-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccncc2)cc1 Show InChI InChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50340319 (CHEMBL1760939 | N-((1-(hydroxymethyl)cyclopentyl)m...) Show SMILES OCC1(CNC(=O)c2nc(N3CCOCC3)n3ccccc23)CCCC1 Show InChI InChI=1S/C19H26N4O3/c24-14-19(6-2-3-7-19)13-20-17(25)16-15-5-1-4-8-23(15)18(21-16)22-9-11-26-12-10-22/h1,4-5,8,24H,2-3,6-7,9-14H2,(H,20,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24878 (6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triaz...) Show SMILES N#Cc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H27N9/c34-19-29-36-20-26-18-27(23-6-2-1-3-7-23)30(38-31(26)37-29)24-11-9-22(10-12-24)21-42-16-13-25(14-17-42)32-39-33(41-40-32)28-8-4-5-15-35-28/h1-12,15,18,20,25H,13-14,16-17,21H2,(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24895 (1-[1-({4-[3-phenyl-5-(pyrimidin-2-yl)pyridin-2-yl]...) Show SMILES Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2ncccn2)CC1 Show InChI InChI=1S/C32H29N9/c33-30-28-19-39-41(32(28)38-21-37-30)26-11-15-40(16-12-26)20-22-7-9-24(10-8-22)29-27(23-5-2-1-3-6-23)17-25(18-36-29)31-34-13-4-14-35-31/h1-10,13-14,17-19,21,26H,11-12,15-16,20H2,(H2,33,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24865 (({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrim...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nnc([nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C31H27N7S/c1-39-31-33-20-25-18-26(22-8-4-2-5-9-22)28(35-29(25)36-31)23-14-12-21(13-15-23)19-32-17-16-27-34-30(38-37-27)24-10-6-3-7-11-24/h2-15,18,20,32H,16-17,19H2,1H3,(H,34,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24874 (5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]...) Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(no2)-c2cccnc2)cc1 Show InChI InChI=1S/C33H29N7OS/c1-42-33-35-20-27-18-28(23-6-3-2-4-7-23)29(36-30(27)38-33)24-11-9-22(10-12-24)21-40-16-13-25(14-17-40)32-37-31(39-41-32)26-8-5-15-34-19-26/h2-12,15,18-20,25H,13-14,16-17,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24894 (1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-y...) Show SMILES Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nccs2)CC1 Show InChI InChI=1S/C31H28N8S/c32-29-27-18-37-39(30(27)36-20-35-29)25-10-13-38(14-11-25)19-21-6-8-23(9-7-21)28-26(22-4-2-1-3-5-22)16-24(17-34-28)31-33-12-15-40-31/h1-9,12,15-18,20,25H,10-11,13-14,19H2,(H2,32,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50340315 (3-((4,4-difluoropiperidin-1-yl)methyl)-N-((1-(hydr...) Show SMILES OCC1(CNC(=O)c2nc(CN3CCC(F)(F)CC3)n3ccccc23)CCCC1 Show InChI InChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29)	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340323 (1-morpholino-N-(2,2,2-trifluoro-1-(pyridin-3-yl)et...) Show SMILES FC(F)(F)C(NC(=O)c1nc(N2CCOCC2)c2cnccn12)c1cccnc1 Show InChI InChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-2-1-3-22-10-12)24-17(28)16-25-15(26-6-8-29-9-7-26)13-11-23-4-5-27(13)16/h1-5,10-11,14H,6-9H2,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24891 (1-[1-({4-[5-(5-amino-1,3,4-thiadiazol-2-yl)-3-phen...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3c4cccnc4[nH]c3=O)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C31H28N8OS/c32-30-37-36-29(41-30)23-17-25(21-5-2-1-3-6-21)27(34-18-23)22-10-8-20(9-11-22)19-38-15-12-24(13-16-38)39-26-7-4-14-33-28(26)35-31(39)40/h1-11,14,17-18,24H,12-13,15-16,19H2,(H2,32,37)(H,33,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24869 (3-ethyl-1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrid...) Show SMILES CCNC(=O)NC1CCN(Cc2ccc(cc2)-c2nc3nc(SC)ncc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C29H32N6OS/c1-3-30-28(36)32-24-13-15-35(16-14-24)19-20-9-11-22(12-10-20)26-25(21-7-5-4-6-8-21)17-23-18-31-29(37-2)34-27(23)33-26/h4-12,17-18,24H,3,13-16,19H2,1-2H3,(H2,30,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 1274-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.054 BindingDB Entry DOI: 10.7270/Q2G73C02
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24887 (2,3,5-trisubstituted pyridine, 10c | 5-{5-phenyl-6...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C32H29N9S/c33-32-40-39-31(42-32)25-18-26(22-6-2-1-3-7-22)28(35-19-25)23-11-9-21(10-12-23)20-41-16-13-24(14-17-41)29-36-30(38-37-29)27-8-4-5-15-34-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,33,40)(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24888 (2,3,5-trisubstituted pyridine, 10d | 5-{5-phenyl-6...) Show SMILES Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3cc(cn3)-c3ccccn3)cc2)c(c1)-c1ccccc1 Show InChI InChI=1S/C33H30N8S/c34-33-39-38-32(42-33)26-18-29(24-6-2-1-3-7-24)31(36-19-26)25-11-9-23(10-12-25)21-40-16-13-28(14-17-40)41-22-27(20-37-41)30-8-4-5-15-35-30/h1-12,15,18-20,22,28H,13-14,16-17,21H2,(H2,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	22
Merck Research Laboratories					Assay Description Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d...				Bioorg Med Chem Lett 18: 2194-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.040 BindingDB Entry DOI: 10.7270/Q2BG2M8B
					More data for this Ligand-Target Pair

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