Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'ahmed' and Initial = 'g'   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16318 (3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...) Show SMILES CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C Show InChI InChI=1S/C21H29N7O2/c1-13-8-9-14(19(29)27-30-7)10-16(13)24-17-15(11-22)18(26-20(23-5)25-17)28(6)12-21(2,3)4/h8-10H,12H2,1-7H3,(H,27,29)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0470	-58.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16319 (3-({2-amino-5-cyano-6-[(2,2-dimethylpropyl)(methyl...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1 Show InChI InChI=1S/C20H27N7O2/c1-12-7-8-13(18(28)26-29-6)9-15(12)23-16-14(10-21)17(25-19(22)24-16)27(5)11-20(2,3)4/h7-9H,11H2,1-6H3,(H,26,28)(H3,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	-58.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16329 (3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...) Show SMILES CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N Show InChI InChI=1S/C19H20N8O2/c1-10(2)22-16-13(9-20)17(26-19(21)25-16)23-14-8-12(5-4-11(14)3)18(28)24-15-6-7-29-27-15/h4-8,10H,1-3H3,(H,24,27,28)(H4,21,22,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0570	-57.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16317 (3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1 Show InChI InChI=1S/C26H38N8O2/c1-18-9-10-19(24(35)31-36-7)15-21(18)28-22-20(16-27)23(33(6)17-26(2,3)4)30-25(29-22)34-12-8-11-32(5)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,31,35)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0570	-57.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16320 (3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]p...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1 Show InChI InChI=1S/C20H26N6O2/c1-13-7-8-14(19(27)25-28-6)9-16(13)24-17-15(10-21)18(23-12-22-17)26(5)11-20(2,3)4/h7-9,12H,11H2,1-6H3,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	-55.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16330 (3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...) Show SMILES Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H22N8O2/c1-12-6-7-13(20(30)26-17-8-9-31-29-17)10-16(12)25-19-15(11-22)18(27-21(23)28-19)24-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,26,29,30)(H4,23,24,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16325 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) Show SMILES CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N Show InChI InChI=1S/C19H19N7O2/c1-11(2)23-17-14(9-20)18(22-10-21-17)24-15-8-13(5-4-12(15)3)19(27)25-16-6-7-28-26-16/h4-8,10-11H,1-3H3,(H,25,26,27)(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16324 (3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C19H22N6O2/c1-12-7-8-13(19(26)25-27-2)9-16(12)24-18-15(10-20)17(21-11-22-18)23-14-5-3-4-6-14/h7-9,11,14H,3-6H2,1-2H3,(H,25,26)(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.420	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16323 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C17H20N6O2/c1-10(2)21-15-13(8-18)16(20-9-19-15)22-14-7-12(6-5-11(14)3)17(24)23-25-4/h5-7,9-10H,1-4H3,(H,23,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16322 (3-{[5-cyano-6-(propylamino)pyrimidin-4-yl]amino}-N...) Show SMILES CCCNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N Show InChI InChI=1S/C17H20N6O2/c1-4-7-19-15-13(9-18)16(21-10-20-15)22-14-8-12(6-5-11(14)2)17(24)23-25-3/h5-6,8,10H,4,7H2,1-3H3,(H,23,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.970	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16331 (3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C21H25N9O/c1-5-30-17(8-9-24-30)27-20(31)14-7-6-13(4)16(10-14)26-19-15(11-22)18(25-12(2)3)28-21(23)29-19/h6-10,12H,5H2,1-4H3,(H,27,31)(H4,23,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16326 (3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...) Show SMILES Cc1ccc(cc1Nc1ncnc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H21N7O2/c1-13-6-7-14(21(29)27-18-8-9-30-28-18)10-17(13)26-20-16(11-22)19(23-12-24-20)25-15-4-2-3-5-15/h6-10,12,15H,2-5H2,1H3,(H,27,28,29)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16332 (3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C23H27N9O/c1-3-32-19(10-11-26-32)29-22(33)15-9-8-14(2)18(12-15)28-21-17(13-24)20(30-23(25)31-21)27-16-6-4-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,29,33)(H4,25,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16316 (3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16328 (3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 Show InChI InChI=1S/C23H26N8O/c1-3-31-20(10-11-27-31)30-23(32)16-9-8-15(2)19(12-16)29-22-18(13-24)21(25-14-26-22)28-17-6-4-5-7-17/h8-12,14,17H,3-7H2,1-2H3,(H,30,32)(H2,25,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16327 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1 Show InChI InChI=1S/C21H24N8O/c1-5-29-18(8-9-25-29)28-21(30)15-7-6-14(4)17(10-15)27-20-16(11-22)19(23-12-24-20)26-13(2)3/h6-10,12-13H,5H2,1-4H3,(H,28,30)(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16321 (3-{[5-cyano-6-(methylamino)pyrimidin-4-yl]amino}-N...) Show SMILES CNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N Show InChI InChI=1S/C15H16N6O2/c1-9-4-5-10(15(22)21-23-3)6-12(9)20-14-11(7-16)13(17-2)18-8-19-14/h4-6,8H,1-3H3,(H,21,22)(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261565 (CHEMBL4098239) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3coc(c3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C28H34N2O7S/c1-28-11-10-20-19-7-5-18(31)13-16(19)4-6-21(20)22(28)8-9-24(28)37-27(33)23-3-2-12-30(23)26(32)17-14-25(36-15-17)38(29,34)35/h5,7,13-15,20-24,31H,2-4,6,8-12H2,1H3,(H2,29,34,35)/t20-,21-,22+,23+,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156754 ((S)-N-methoxy-4-methyl-3-(4-(methyl(neopentyl)amin...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C22H34N8O2/c1-14-7-8-15(18(31)29-32-6)11-17(14)25-20-26-19(24-16-9-10-23-12-16)27-21(28-20)30(5)13-22(2,3)4/h7-8,11,16,23H,9-10,12-13H2,1-6H3,(H,29,31)(H2,24,25,26,27,28)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156743 ((S)-N-hydroxy-4-methyl-3-(4-(methyl(neopentyl)amin...) Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NO)n1 |r| Show InChI InChI=1S/C21H32N8O2/c1-13-6-7-14(17(30)28-31)10-16(13)24-19-25-18(23-15-8-9-22-11-15)26-20(27-19)29(5)12-21(2,3)4/h6-7,10,15,22,31H,8-9,11-12H2,1-5H3,(H,28,30)(H2,23,24,25,26,27)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156750 (CHEMBL376506 | DEL-A, 5 | N-methoxy-4-methyl-3-(4-...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCNCC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C22H34N8O2/c1-15-7-8-16(18(31)28-32-6)13-17(15)24-19-25-20(29(5)14-22(2,3)4)27-21(26-19)30-11-9-23-10-12-30/h7-8,13,23H,9-12,14H2,1-6H3,(H,28,31)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM16316 (3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38beta				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156757 ((S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrr...) Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r| Show InChI InChI=1S/C21H32N8O/c1-13-6-7-14(17(22)30)10-16(13)25-19-26-18(24-15-8-9-23-11-15)27-20(28-19)29(5)12-21(2,3)4/h6-7,10,15,23H,8-9,11-12H2,1-5H3,(H2,22,30)(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156741 ((S)-3-(4-(isobutyl(methyl)amino)-6-(pyrrolidin-3-y...) Show SMILES CC(C)CN(C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r| Show InChI InChI=1S/C20H30N8O/c1-12(2)11-28(4)20-26-18(23-15-7-8-22-10-15)25-19(27-20)24-16-9-14(17(21)29)6-5-13(16)3/h5-6,9,12,15,22H,7-8,10-11H2,1-4H3,(H2,21,29)(H2,23,24,25,26,27)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156755 ((S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)...) Show SMILES CCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C23H36N8O/c1-7-25-19(32)16-9-8-15(2)18(12-16)27-21-28-20(26-17-10-11-24-13-17)29-22(30-21)31(6)14-23(3,4)5/h8-9,12,17,24H,7,10-11,13-14H2,1-6H3,(H,25,32)(H2,26,27,28,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16316 (3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156737 ((S)-N-isopropyl-4-methyl-3-(4-(methyl(neopentyl)-a...) Show SMILES CC(C)NC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C24H38N8O/c1-15(2)26-20(33)17-9-8-16(3)19(12-17)28-22-29-21(27-18-10-11-25-13-18)30-23(31-22)32(7)14-24(4,5)6/h8-9,12,15,18,25H,10-11,13-14H2,1-7H3,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156738 (3-(4-(1,4-diazepan-1-yl)-6-(methyl(neopentyl)amino...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCNCC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C23H36N8O2/c1-16-8-9-17(19(32)29-33-6)14-18(16)25-20-26-21(30(5)15-23(2,3)4)28-22(27-20)31-12-7-10-24-11-13-31/h8-9,14,24H,7,10-13,15H2,1-6H3,(H,29,32)(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156752 (3-(4-(((1S,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan...) Show SMILES Cc1ccc(cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(N[C@H]2CCNC2)n1)C(N)=O |r| Show InChI InChI=1S/C25H36N8O/c1-14-4-5-15(21(26)34)10-20(14)30-24-32-22(31-23(33-24)29-18-8-9-27-13-18)28-12-16-6-7-17-11-19(16)25(17,2)3/h4-5,10,16-19,27H,6-9,11-13H2,1-3H3,(H2,26,34)(H3,28,29,30,31,32,33)/t16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156742 (CHEMBL222098 | N-methoxy-4-methyl-3-(4-(methyl(neo...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCN(C)CC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C23H36N8O2/c1-16-8-9-17(19(32)28-33-7)14-18(16)24-20-25-21(30(6)15-23(2,3)4)27-22(26-20)31-12-10-29(5)11-13-31/h8-9,14H,10-13,15H2,1-7H3,(H,28,32)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156756 ((S)-N-benzyl-4-methyl-3-(4-(methyl(neopentyl)amino...) Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NCc2ccccc2)n1 |r| Show InChI InChI=1S/C28H38N8O/c1-19-11-12-21(24(37)30-16-20-9-7-6-8-10-20)15-23(19)32-26-33-25(31-22-13-14-29-17-22)34-27(35-26)36(5)18-28(2,3)4/h6-12,15,22,29H,13-14,16-18H2,1-5H3,(H,30,37)(H2,31,32,33,34,35)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261578 (CHEMBL4085932) Show SMILES [H][C@@]12CC[C@H](OC(=O)CNC(=O)c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C27H32N2O6S/c1-27-13-12-21-20-9-5-18(30)14-17(20)4-8-22(21)23(27)10-11-24(27)35-25(31)15-29-26(32)16-2-6-19(7-3-16)36(28,33)34/h2-3,5-7,9,14,21-24,30H,4,8,10-13,15H2,1H3,(H,29,32)(H2,28,33,34)/t21-,22-,23+,24+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156747 ((S)-3-(4-(isobutylamino)-6-(pyrrolidin-3-ylamino)-...) Show SMILES CC(C)CNc1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r| Show InChI InChI=1S/C19H28N8O/c1-11(2)9-22-17-25-18(23-14-6-7-21-10-14)27-19(26-17)24-15-8-13(16(20)28)5-4-12(15)3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3,(H2,20,28)(H3,22,23,24,25,26,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156739 (4-methyl-3-(4-(methyl(2-phenylpropyl)amino)-6-((S)...) Show SMILES CC(CN(C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H32N8O/c1-16-9-10-19(22(26)34)13-21(16)29-24-30-23(28-20-11-12-27-14-20)31-25(32-24)33(3)15-17(2)18-7-5-4-6-8-18/h4-10,13,17,20,27H,11-12,14-15H2,1-3H3,(H2,26,34)(H2,28,29,30,31,32)/t17?,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156746 ((S)-N-cyclopentyl-4-methyl-3-(4-(methyl(neopentyl)...) Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NC2CCCC2)n1 |r| Show InChI InChI=1S/C26H40N8O/c1-17-10-11-18(22(35)28-19-8-6-7-9-19)14-21(17)30-24-31-23(29-20-12-13-27-15-20)32-25(33-24)34(5)16-26(2,3)4/h10-11,14,19-20,27H,6-9,12-13,15-16H2,1-5H3,(H,28,35)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261559 (CHEMBL4067116) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C34H38N2O6S/c1-34-18-17-27-26-14-10-24(37)20-23(26)9-13-28(27)29(34)15-16-31(34)42-33(39)30(19-21-5-3-2-4-6-21)36-32(38)22-7-11-25(12-8-22)43(35,40)41/h2-8,10-12,14,20,27-31,37H,9,13,15-19H2,1H3,(H,36,38)(H2,35,40,41)/t27-,28-,29+,30+,31+,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261561 (CHEMBL4075710) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C30H36N2O6S/c1-30-15-14-23-22-11-7-20(33)17-19(22)6-10-24(23)25(30)12-13-27(30)38-29(35)26-3-2-16-32(26)28(34)18-4-8-21(9-5-18)39(31,36)37/h4-5,7-9,11,17,23-27,33H,2-3,6,10,12-16H2,1H3,(H2,31,36,37)/t23-,24-,25+,26+,27+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261577 (CHEMBL4077445) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3cccc(c3)-c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C36H40N2O6S/c1-36-18-17-29-28-14-10-26(39)21-24(28)9-13-30(29)31(36)15-16-33(36)44-35(41)32-6-3-19-38(32)34(40)25-5-2-4-23(20-25)22-7-11-27(12-8-22)45(37,42)43/h2,4-5,7-8,10-12,14,20-21,29-33,39H,3,6,9,13,15-19H2,1H3,(H2,37,42,43)/t29-,30-,31+,32+,33+,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261563 (CHEMBL4089618) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3Cc3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C30H38N2O5S/c1-30-15-14-24-23-11-7-21(33)17-20(23)6-10-25(24)26(30)12-13-28(30)37-29(34)27-3-2-16-32(27)18-19-4-8-22(9-5-19)38(31,35)36/h4-5,7-9,11,17,24-28,33H,2-3,6,10,12-16,18H2,1H3,(H2,31,35,36)/t24-,25-,26+,27+,28+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261562 (CHEMBL4068479) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H36N2O5S/c1-29-15-14-23-22-11-7-20(32)17-18(22)4-10-24(23)25(29)12-13-27(29)36-28(33)26-3-2-16-31(26)19-5-8-21(9-6-19)37(30,34)35/h5-9,11,17,23-27,32H,2-4,10,12-16H2,1H3,(H2,30,34,35)/t23-,24-,25+,26+,27+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261581 (CHEMBL4086863) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H](NC(=O)c3ccc(cc3)S(N)(=O)=O)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C30H38N2O6S/c1-17(2)27(32-28(34)18-4-8-21(9-5-18)39(31,36)37)29(35)38-26-13-12-25-24-10-6-19-16-20(33)7-11-22(19)23(24)14-15-30(25,26)3/h4-5,7-9,11,16-17,23-27,33H,6,10,12-15H2,1-3H3,(H,32,34)(H2,31,36,37)/t23-,24-,25+,26+,27+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261575 (CHEMBL4102621) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(c(C)c3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C31H38N2O6S/c1-18-16-20(6-11-27(18)40(32,37)38)29(35)33-15-3-4-26(33)30(36)39-28-12-10-25-24-8-5-19-17-21(34)7-9-22(19)23(24)13-14-31(25,28)2/h6-7,9,11,16-17,23-26,28,34H,3-5,8,10,12-15H2,1-2H3,(H2,32,37,38)/t23-,24-,25+,26+,28+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156749 ((S)-3-(4-(4-fluorophenethylamino)-6-(pyrrolidin-3-...) Show SMILES Cc1ccc(cc1Nc1nc(NCCc2ccc(F)cc2)nc(N[C@H]2CCNC2)n1)C(N)=O |r| Show InChI InChI=1S/C23H27FN8O/c1-14-2-5-16(20(25)33)12-19(14)29-23-31-21(27-11-8-15-3-6-17(24)7-4-15)30-22(32-23)28-18-9-10-26-13-18/h2-7,12,18,26H,8-11,13H2,1H3,(H2,25,33)(H3,27,28,29,30,31,32)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261580 (CHEMBL4100191) Show SMILES [H][C@@]12CC[C@H](OC(=O)C(C)(C)NC(=O)c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H36N2O6S/c1-28(2,31-26(33)17-4-8-20(9-5-17)38(30,35)36)27(34)37-25-13-12-24-23-10-6-18-16-19(32)7-11-21(18)22(23)14-15-29(24,25)3/h4-5,7-9,11,16,22-25,32H,6,10,12-15H2,1-3H3,(H,31,33)(H2,30,35,36)/t22-,23-,24+,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156744 ((S)-3-(4-(cyclohexyl(methyl)amino)-6-(pyrrolidin-3...) Show SMILES CN(CC1CCCCC1)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r| Show InChI InChI=1S/C23H34N8O/c1-15-8-9-17(20(24)32)12-19(15)27-22-28-21(26-18-10-11-25-13-18)29-23(30-22)31(2)14-16-6-4-3-5-7-16/h8-9,12,16,18,25H,3-7,10-11,13-14H2,1-2H3,(H2,24,32)(H2,26,27,28,29,30)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261579 (CHEMBL4064401) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@H](C)NC(=O)c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C28H34N2O6S/c1-16(30-26(32)17-3-7-20(8-4-17)37(29,34)35)27(33)36-25-12-11-24-23-9-5-18-15-19(31)6-10-21(18)22(23)13-14-28(24,25)2/h3-4,6-8,10,15-16,22-25,31H,5,9,11-14H2,1-2H3,(H,30,32)(H2,29,34,35)/t16-,22+,23+,24-,25-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261583 (CHEMBL4081744) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(o3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C28H34N2O7S/c1-28-13-12-19-18-7-5-17(31)15-16(18)4-6-20(19)21(28)8-10-24(28)37-27(33)22-3-2-14-30(22)26(32)23-9-11-25(36-23)38(29,34)35/h5,7,9,11,15,19-22,24,31H,2-4,6,8,10,12-14H2,1H3,(H2,29,34,35)/t19-,20-,21+,22+,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261570 (CHEMBL4071193) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(nc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H35N3O6S/c1-29-13-12-21-20-8-6-19(33)15-17(20)4-7-22(21)23(29)9-10-25(29)38-28(35)24-3-2-14-32(24)27(34)18-5-11-26(31-16-18)39(30,36)37/h5-6,8,11,15-16,21-25,33H,2-4,7,9-10,12-14H2,1H3,(H2,30,36,37)/t21-,22-,23+,24+,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156748 ((S)-N-(2-methoxyethyl)-4-methyl-3-(4-(methyl(neope...) Show SMILES COCCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C24H38N8O2/c1-16-7-8-17(20(33)26-11-12-34-6)13-19(16)28-22-29-21(27-18-9-10-25-14-18)30-23(31-22)32(5)15-24(2,3)4/h7-8,13,18,25H,9-12,14-15H2,1-6H3,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261585 (CHEMBL4073866) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(cc3)-c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C36H40N2O6S/c1-36-19-18-29-28-15-11-26(39)21-25(28)10-14-30(29)31(36)16-17-33(36)44-35(41)32-3-2-20-38(32)34(40)24-6-4-22(5-7-24)23-8-12-27(13-9-23)45(37,42)43/h4-9,11-13,15,21,29-33,39H,2-3,10,14,16-20H2,1H3,(H2,37,42,43)/t29-,30-,31+,32+,33+,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
					More data for this Ligand-Target Pair

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