Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'pawar' and Initial = 'v'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314991 (CHEMBL1089524 | N-(4-(3-Bromophenylamino)quinolin-...) Show SMILES CN(C)CCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H23BrN4O/c1-26(2)12-4-7-21(27)25-17-8-9-19-18(14-17)20(10-11-23-19)24-16-6-3-5-15(22)13-16/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314992 (CHEMBL1092382 | N-(4-(3-Bromophenylamino)quinolin-...) Show SMILES CCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H16BrN3O/c1-2-18(23)22-14-6-7-16-15(11-14)17(8-9-20-16)21-13-5-3-4-12(19)10-13/h3-11H,2H2,1H3,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314989 (CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...) Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314990 (CHEMBL1089203 | N-(3-Ethynylphenyl)-6,7-bis(2-meth...) Show SMILES COCCOc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303597 ((S)-2-(2-amino-3-phenylpropylamino)-3-methyl-5-(na...) Show SMILES Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r| Show InChI InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266947 (2-(6-chloro-5-((2R,5S)-4-(4-fluorobenzyl)-2,5-dime...) Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r| Show InChI InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303586 (1-(3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)21-15-22(28(27-21)17-10-7-11-18(14-17)29(31)32)26-23(30)25-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,1-3H3,(H2,25,26,30)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM31825 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303597 ((S)-2-(2-amino-3-phenylpropylamino)-3-methyl-5-(na...) Show SMILES Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r| Show InChI InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50303597 ((S)-2-(2-amino-3-phenylpropylamino)-3-methyl-5-(na...) Show SMILES Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r| Show InChI InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of JNK2 active form by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31825 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM31825 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of JNK2 active form by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303594 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C Show InChI InChI=1S/C30H29N7O3/c1-19-8-10-22(11-9-19)36-28(18-27(35-36)30(2,3)4)34-29(38)33-21-7-5-6-20(16-21)32-26-14-15-31-25-13-12-23(37(39)40)17-24(25)26/h5-18H,1-4H3,(H,31,32)(H2,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266947 (2-(6-chloro-5-((2R,5S)-4-(4-fluorobenzyl)-2,5-dime...) Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r| Show InChI InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50303591 (1-(4-(6-aminoquinolin-4-ylamino)phenyl)-3-(3-tert-...) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ccnc3ccc(N)cc23)cc1)C(C)(C)C Show InChI InChI=1S/C30H31N7O/c1-19-6-5-7-23(16-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-11-9-21(10-12-22)33-26-14-15-32-25-13-8-20(31)17-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303584 (1-(3-tert-butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H21N5O3/c1-20(2,3)17-13-18(22-19(26)21-14-8-5-4-6-9-14)24(23-17)15-10-7-11-16(12-15)25(27)28/h4-13H,1-3H3,(H2,21,22,26)	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
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14832 (3-(4-fluorophenyl)-2-pyridin-4-yl-6-thia-1,4-diaza...) Show SMILES Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1 Show InChI InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303585 (1-(3-tert-butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20ClN5O3/c1-20(2,3)17-12-18(23-19(27)22-14-9-7-13(21)8-10-14)25(24-17)15-5-4-6-16(11-15)26(28)29/h4-12H,1-3H3,(H2,22,23,27)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303596 (CHEMBL566100 | N-(4-(3-(3-(3-tert-butyl-1-p-tolyl-...) Show SMILES CCC(=O)Nc1ccc2nccc(Nc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c3)c2c1 Show InChI InChI=1S/C33H35N7O2/c1-6-31(41)36-24-12-15-27-26(19-24)28(16-17-34-27)35-22-8-7-9-23(18-22)37-32(42)38-30-20-29(33(3,4)5)39-40(30)25-13-10-21(2)11-14-25/h7-20H,6H2,1-5H3,(H,34,35)(H,36,41)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303586 (1-(3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)21-15-22(28(27-21)17-10-7-11-18(14-17)29(31)32)26-23(30)25-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,1-3H3,(H2,25,26,30)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303594 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C Show InChI InChI=1S/C30H29N7O3/c1-19-8-10-22(11-9-19)36-28(18-27(35-36)30(2,3)4)34-29(38)33-21-7-5-6-20(16-21)32-26-14-15-31-25-13-12-23(37(39)40)17-24(25)26/h5-18H,1-4H3,(H,31,32)(H2,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of JNK2 active form by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of JNK2 active form by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31825 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303585 (1-(3-tert-butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20ClN5O3/c1-20(2,3)17-12-18(23-19(27)22-14-9-7-13(21)8-10-14)25(24-17)15-5-4-6-16(11-15)26(28)29/h4-12H,1-3H3,(H2,22,23,27)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303584 (1-(3-tert-butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H21N5O3/c1-20(2,3)17-13-18(22-19(26)21-14-8-5-4-6-9-14)24(23-17)15-10-7-11-16(12-15)25(27)28/h4-13H,1-3H3,(H2,21,22,26)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50303597 ((S)-2-(2-amino-3-phenylpropylamino)-3-methyl-5-(na...) Show SMILES Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r| Show InChI InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303595 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(q...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccccc23)c1)C(C)(C)C Show InChI InChI=1S/C30H30N6O/c1-20-12-14-23(15-13-20)36-28(19-27(35-36)30(2,3)4)34-29(37)33-22-9-7-8-21(18-22)32-26-16-17-31-25-11-6-5-10-24(25)26/h5-19H,1-4H3,(H,31,32)(H2,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303596 (CHEMBL566100 | N-(4-(3-(3-(3-tert-butyl-1-p-tolyl-...) Show SMILES CCC(=O)Nc1ccc2nccc(Nc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c3)c2c1 Show InChI InChI=1S/C33H35N7O2/c1-6-31(41)36-24-12-15-27-26(19-24)28(16-17-34-27)35-22-8-7-9-23(18-22)37-32(42)38-30-20-29(33(3,4)5)39-40(30)25-13-10-21(2)11-14-25/h7-20H,6H2,1-5H3,(H,34,35)(H,36,41)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303593 (1-(3-(6-aminoquinolin-4-ylamino)phenyl)-3-(3-tert-...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C30H31N7O/c1-19-8-11-23(12-9-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-7-5-6-21(17-22)33-26-14-15-32-25-13-10-20(31)16-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303595 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(q...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccccc23)c1)C(C)(C)C Show InChI InChI=1S/C30H30N6O/c1-20-12-14-23(15-13-20)36-28(19-27(35-36)30(2,3)4)34-29(37)33-22-9-7-8-21(18-22)32-26-16-17-31-25-11-6-5-10-24(25)26/h5-19H,1-4H3,(H,31,32)(H2,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303593 (1-(3-(6-aminoquinolin-4-ylamino)phenyl)-3-(3-tert-...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C30H31N7O/c1-19-8-11-23(12-9-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-7-5-6-21(17-22)33-26-14-15-32-25-13-10-20(31)16-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303590 (1-(3-(6-aminoquinazolin-4-ylamino)phenyl)-3-(3-ter...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-8-11-22(12-9-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-7-5-6-20(15-21)33-27-23-14-19(30)10-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50303591 (1-(4-(6-aminoquinolin-4-ylamino)phenyl)-3-(3-tert-...) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ccnc3ccc(N)cc23)cc1)C(C)(C)C Show InChI InChI=1S/C30H31N7O/c1-19-6-5-7-23(16-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-11-9-21(10-12-22)33-26-14-15-32-25-13-8-20(31)17-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of JNK2 active form by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303592 (CHEMBL568756 | N-(4-(4-(3-(3-tert-butyl-1-m-tolyl-...) Show SMILES CCC(=O)Nc1ccc2nccc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1 Show InChI InChI=1S/C33H35N7O2/c1-6-31(41)36-24-14-15-27-26(19-24)28(16-17-34-27)35-22-10-12-23(13-11-22)37-32(42)38-30-20-29(33(3,4)5)39-40(30)25-9-7-8-21(2)18-25/h7-20H,6H2,1-5H3,(H,34,35)(H,36,41)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50115216 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50303587 (1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(4-ch...) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN4O/c1-14-6-5-7-17(12-14)26-19(13-18(25-26)21(2,3)4)24-20(27)23-16-10-8-15(22)9-11-16/h5-13H,1-4H3,(H2,23,24,27)	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	440	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303590 (1-(3-(6-aminoquinazolin-4-ylamino)phenyl)-3-(3-ter...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-8-11-22(12-9-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-7-5-6-20(15-21)33-27-23-14-19(30)10-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303591 (1-(4-(6-aminoquinolin-4-ylamino)phenyl)-3-(3-tert-...) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ccnc3ccc(N)cc23)cc1)C(C)(C)C Show InChI InChI=1S/C30H31N7O/c1-19-6-5-7-23(16-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-11-9-21(10-12-22)33-26-14-15-32-25-13-8-20(31)17-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM31828 (quinazoline-pyrazolourea hybrid compound, 3b) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of JNK2 active form by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50303588 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-p-tol...) Show SMILES Cc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H26N4O/c1-15-6-10-17(11-7-15)23-21(27)24-20-14-19(22(3,4)5)25-26(20)18-12-8-16(2)9-13-18/h6-14H,1-5H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31827 (quinazoline-pyrazolourea hybrid compound, 3a) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C Show InChI InChI=1S/C29H28N8O3/c1-18-6-5-7-21(14-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-10-8-19(9-11-20)32-27-23-15-22(37(39)40)12-13-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair

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