Compile Data Set for Download or QSAR

Found 1733 hits with Last Name = 'bauer' and Initial = 'sm'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50193861 (5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249120 (CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...) Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1 Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB 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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50249423 (CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249298 (BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50249295 (CHEMBL471725 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H20ClN5O2/c1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-13,24H,1-2H3,(H,26,29)(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50144092 (CHEMBL294121 | [4-(5-Chloro-1H-indole-2-sulfonyl)-...) Show SMILES CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1 |c:4| Show InChI InChI=1S/C23H24ClN5O3S/c1-27-9-8-25-22(27)16-2-4-17(5-3-16)23(30)28-10-12-29(13-11-28)33(31,32)21-15-18-14-19(24)6-7-20(18)26-21/h2-7,14-15,26H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against Coagulation factor X was determined				Bioorg Med Chem Lett 14: 2073-8 (2004) Article DOI: 10.1016/j.bmcl.2004.02.049 BindingDB Entry DOI: 10.7270/Q2P84B98
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50193861 (5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50193849 (CHEMBL219106 | N-(2-(5-chloropyridin-2-ylcarbamoyl...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2N2CCCCC2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C28H31ClN6O3/c1-34(2)26(30)18-7-10-21(24(15-18)35-13-5-4-6-14-35)27(36)32-23-11-9-20(38-3)16-22(23)28(37)33-25-12-8-19(29)17-31-25/h7-12,15-17,30H,4-6,13-14H2,1-3H3,(H,32,36)(H,31,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249120 (CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...) Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1 Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249298 (BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249423 (CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50193850 (2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dim...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50193842 (1-(2-(2-(5-chloropyridin-2-ylcarbamoyl)-4-methoxyp...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2N2CCC(CC2)C(O)=O)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C29H31ClN6O5/c1-35(2)26(31)18-4-7-21(24(14-18)36-12-10-17(11-13-36)29(39)40)27(37)33-23-8-6-20(41-3)15-22(23)28(38)34-25-9-5-19(30)16-32-25/h4-9,14-17,31H,10-13H2,1-3H3,(H,33,37)(H,39,40)(H,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241077 (CHEMBL4060815) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(F)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM202553 ((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...) Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.127	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description A commercial assay by Reaction Biology Corp.				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM202554 ((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...) Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.154	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description A commercial assay by Reaction Biology Corp.				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50425360 (CHEMBL2316207) Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50425360 (CHEMBL2316207) Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase (unknown origin) by ELISA				J Med Chem 56: 241-53 (2013) Article DOI: 10.1021/jm301539x BindingDB Entry DOI: 10.7270/Q2TB187B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241059 (CHEMBL4069496) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(OC)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c1-34-30(38)20-9-7-17-6-8-18-12-21(10-11-23(18)29(37)24(17)14-20)35-27-16-28(26(33)15-25(27)32)36-31(39)19-4-3-5-22(13-19)40-2/h3-5,7,9-16,35H,6,8H2,1-2H3,(H,34,38)(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241058 (CHEMBL4104440) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(cc5)C(F)(F)F)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H22F5N3O3/c1-37-29(41)19-5-3-16-2-4-18-12-21(10-11-22(18)28(40)23(16)13-19)38-26-15-27(25(33)14-24(26)32)39-30(42)17-6-8-20(9-7-17)31(34,35)36/h3,5-15,38H,2,4H2,1H3,(H,37,41)(H,39,42)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241013 (CHEMBL4066023) Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C32H27F2N3O5/c33-26-14-27(34)29(37-32(42)19-4-2-1-3-5-19)15-28(26)36-22-10-11-24-20(12-22)8-6-18-7-9-21(13-25(18)30(24)40)31(41)35-16-23(39)17-38/h1-5,7,9-15,23,36,38-39H,6,8,16-17H2,(H,35,41)(H,37,42)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241078 (CHEMBL4073561) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(Cl)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22ClF2N3O3/c1-34-29(38)19-5-3-16-2-4-18-12-21(10-11-22(18)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)17-6-8-20(31)9-7-17/h3,5-15,35H,2,4H2,1H3,(H,34,38)(H,36,39)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241010 (CHEMBL4074237) Show SMILES Cc1cc(F)c(NC(=O)c2ccccc2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NC[C@@H](O)CO)c1 |r| Show InChI InChI=1S/C33H30FN3O5/c1-19-13-28(34)30(37-33(42)21-5-3-2-4-6-21)16-29(19)36-24-11-12-26-22(14-24)9-7-20-8-10-23(15-27(20)31(26)40)32(41)35-17-25(39)18-38/h2-6,8,10-16,25,36,38-39H,7,9,17-18H2,1H3,(H,35,41)(H,37,42)/t25-/m1/s1	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.292	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description A commercial assay by Reaction Biology Corp.				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241062 (CHEMBL4100394) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(Cl)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22ClF2N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241055 (CHEMBL4066347) Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H26FN3O4/c32-27-13-11-24(18-28(27)35-31(39)20-4-2-1-3-5-20)34-23-10-12-25-21(16-23)8-6-19-7-9-22(17-26(19)29(25)37)30(38)33-14-15-36/h1-5,7,9-13,16-18,34,36H,6,8,14-15H2,(H,33,38)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50425359 (CHEMBL2316490) Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1 Show InChI InChI=1S/C32H30FN3O4S/c33-29-8-5-25(18-30(29)35-32(38)23-9-16-41-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)40-15-12-36-10-13-39-14-11-36/h3-9,16-20,34H,1-2,10-15H2,(H,35,38)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase (unknown origin) by ELISA				J Med Chem 56: 241-53 (2013) Article DOI: 10.1021/jm301539x BindingDB Entry DOI: 10.7270/Q2TB187B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241017 (CHEMBL4101643) Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H22FN3O3/c30-25-13-11-22(16-26(25)33-29(36)18-4-2-1-3-5-18)32-21-10-12-23-19(14-21)8-6-17-7-9-20(28(31)35)15-24(17)27(23)34/h1-5,7,9-16,32H,6,8H2,(H2,31,35)(H,33,36)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241020 (CHEMBL4072910) Show SMILES COC(=O)c1ccc2COc3cc(Nc4cc(NC(=O)c5ccsc5)c(F)cc4C)ccc3C(=O)c2c1 Show InChI InChI=1S/C28H21FN2O5S/c1-15-9-22(29)24(31-27(33)18-7-8-37-14-18)12-23(15)30-19-5-6-20-25(11-19)36-13-17-4-3-16(28(34)35-2)10-21(17)26(20)32/h3-12,14,30H,13H2,1-2H3,(H,31,33)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241032 (CHEMBL4082939) Show SMILES NC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H19F2N3O3S/c28-20-12-21(29)23(32-27(35)24-2-1-9-36-24)13-22(20)31-17-7-8-18-15(10-17)5-3-14-4-6-16(26(30)34)11-19(14)25(18)33/h1-2,4,6-13,31H,3,5H2,(H2,30,34)(H,32,35)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241061 (CHEMBL4089021) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(F)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-5-3-16-2-4-18-12-21(10-11-22(18)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)17-6-8-20(31)9-7-17/h3,5-15,35H,2,4H2,1H3,(H,34,38)(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241060 (CHEMBL4096722) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(OC)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c1-34-30(38)20-6-4-17-3-5-19-13-21(9-12-23(19)29(37)24(17)14-20)35-27-16-28(26(33)15-25(27)32)36-31(39)18-7-10-22(40-2)11-8-18/h4,6-16,35H,3,5H2,1-2H3,(H,34,38)(H,36,39)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249166 (2-(azetidin-1-yl)-N-(4-chloro-2-(5-chloropyridin-2...) Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N1CCC1 Show InChI InChI=1S/C25H24Cl2N6O2/c1-32(2)23(28)15-4-7-18(21(12-15)33-10-3-11-33)24(34)30-20-8-5-16(26)13-19(20)25(35)31-22-9-6-17(27)14-29-22/h4-9,12-14,28H,3,10-11H2,1-2H3,(H,30,34)(H,29,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241014 (CHEMBL4087408) Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H32F2N4O4/c36-29-20-30(37)32(40-35(44)23-4-2-1-3-5-23)21-31(29)39-26-10-11-27-24(18-26)8-6-22-7-9-25(19-28(22)33(27)42)34(43)38-12-13-41-14-16-45-17-15-41/h1-5,7,9-11,18-21,39H,6,8,12-17H2,(H,38,43)(H,40,44)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB 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	0.496	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description A commercial assay by Reaction Biology Corp.				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50249117 (5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimeth...) Show SMILES CC(C)Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)C(=N)N(C)C Show InChI InChI=1S/C25H25Cl2N5O3/c1-14(2)35-20-12-18(27)11-19(25(34)30-21-10-9-17(26)13-29-21)22(20)31-24(33)16-7-5-15(6-8-16)23(28)32(3)4/h5-14,28H,1-4H3,(H,31,33)(H,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249119 (5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimeth...) Show SMILES CCN(C)c1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)C(=N)N(C)C Show InChI InChI=1S/C25H26Cl2N6O2/c1-5-33(4)20-13-18(27)12-19(25(35)30-21-11-10-17(26)14-29-21)22(20)31-24(34)16-8-6-15(7-9-16)23(28)32(2)3/h6-14,28H,5H2,1-4H3,(H,31,34)(H,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249121 (CHEMBL472778 | N-(4-chloro-2-(5-chloropyridin-2-yl...) Show SMILES COc1cc(ccc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(=N)N(C)C Show InChI InChI=1S/C23H21Cl2N5O3/c1-30(2)21(26)13-4-7-16(19(10-13)33-3)22(31)28-18-8-5-14(24)11-17(18)23(32)29-20-9-6-15(25)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50193861 (5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50425384 (CHEMBL2316466) Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1 Show InChI InChI=1S/C32H29F2N3O4S/c33-27-17-28(34)30(36-32(39)22-7-14-42-19-22)18-29(27)35-23-4-6-25-21(15-23)2-1-20-3-5-24(16-26(20)31(25)38)41-13-10-37-8-11-40-12-9-37/h3-7,14-19,35H,1-2,8-13H2,(H,36,39)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase (unknown origin) by ELISA				J Med Chem 56: 241-53 (2013) Article DOI: 10.1021/jm301539x BindingDB Entry DOI: 10.7270/Q2TB187B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249118 (5-chloro-N-(5-chloropyridin-2-yl)-3-(dimethylamino...) Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1c(cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)N(C)C Show InChI InChI=1S/C24H24Cl2N6O2/c1-31(2)19-12-17(26)11-18(24(34)29-20-10-9-16(25)13-28-20)21(19)30-23(33)15-7-5-14(6-8-15)22(27)32(3)4/h5-13,27H,1-4H3,(H,30,33)(H,28,29,34)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241016 (CHEMBL4077602) Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H24FN3O3/c1-32-29(36)21-10-8-18-7-9-20-15-22(11-13-24(20)28(35)25(18)16-21)33-23-12-14-26(31)27(17-23)34-30(37)19-5-3-2-4-6-19/h2-6,8,10-17,33H,7,9H2,1H3,(H,32,36)(H,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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249165 (CHEMBL515254 | N-(4-chloro-2-(5-chloropyridin-2-yl...) Show SMILES COCCN(C)c1cc(ccc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(=N)N(C)C Show InChI InChI=1S/C26H28Cl2N6O3/c1-33(2)24(29)16-5-8-19(22(13-16)34(3)11-12-37-4)25(35)31-21-9-6-17(27)14-20(21)26(36)32-23-10-7-18(28)15-30-23/h5-10,13-15,29H,11-12H2,1-4H3,(H,31,35)(H,30,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249327 (5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimeth...) Show SMILES CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)C(=N)N(C)C Show InChI InChI=1S/C24H23Cl2N5O3/c1-4-34-19-12-17(26)11-18(24(33)29-20-10-9-16(25)13-28-20)21(19)30-23(32)15-7-5-14(6-8-15)22(27)31(2)3/h5-13,27H,4H2,1-3H3,(H,30,32)(H,28,29,33)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50249326 (5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimeth...) Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)C(=N)N(C)C Show InChI InChI=1S/C23H21Cl2N5O3/c1-30(2)21(26)13-4-6-14(7-5-13)22(31)29-20-17(10-16(25)11-18(20)33-3)23(32)28-19-9-8-15(24)12-27-19/h4-12,26H,1-3H3,(H,29,31)(H,27,28,32)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241038 (CHEMBL4071095) Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O4S/c30-24-10-8-21(16-25(24)33-29(37)26-2-1-13-38-26)32-20-7-9-22-18(14-20)5-3-17-4-6-19(15-23(17)27(22)35)28(36)31-11-12-34/h1-2,4,6-10,13-16,32,34H,3,5,11-12H2,(H,31,36)(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241037 (CHEMBL4076170) Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H20FN3O3S/c28-22-10-8-19(14-23(22)31-27(34)24-2-1-11-35-24)30-18-7-9-20-16(12-18)5-3-15-4-6-17(26(29)33)13-21(15)25(20)32/h1-2,4,6-14,30H,3,5H2,(H2,29,33)(H,31,34)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241000 (CHEMBL4092372) Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H23F2N3O4S/c30-22-14-23(31)25(34-29(38)26-2-1-11-39-26)15-24(22)33-19-7-8-20-17(12-19)5-3-16-4-6-18(13-21(16)27(20)36)28(37)32-9-10-35/h1-2,4,6-8,11-15,33,35H,3,5,9-10H2,(H,32,37)(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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