Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50046875   

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 kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134771 (CHEMBL3754515) Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Misshapen-like kinase 1 (Homo sapiens (Human))	BDBM50134771 (CHEMBL3754515) Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MINK (unknown origin) in presence of ATP (Km)				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138160 (CHEMBL3753424) Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50134771 (CHEMBL3754515) Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of TNIK (unknown origin) in presence of ATP (Km)				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134772 (CHEMBL3754123) Show SMILES Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN5/c16-12-3-1-9(2-4-12)13-5-10(6-19-14(13)17)11-7-20-15(18)21-8-11/h1-8H,(H2,17,19)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138128 (CHEMBL3754730) Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C16H12ClN3O/c17-13-3-1-10(2-4-13)14-7-12(9-20-16(14)18)11-5-6-19-15(21)8-11/h1-9H,(H2,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1 Show InChI InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138158 (CHEMBL3752854) Show SMILES COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C19H16N2O2/c1-23-18-8-6-14(7-9-18)17-10-16(11-21-12-17)13-2-4-15(5-3-13)19(20)22/h2-12H,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134774 (CHEMBL3754588) Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138162 (CHEMBL3752433) Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1 Show InChI InChI=1S/C21H18N2O2/c22-21(24)16-3-1-14(2-4-16)17-11-18(13-23-12-17)15-5-7-19(8-6-15)25-20-9-10-20/h1-8,11-13,20H,9-10H2,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138155 (CHEMBL3754304) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-13(7-9-16)17-10-15(11-22-18(17)20)12-2-4-14(5-3-12)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138151 (CHEMBL3753371) Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C17H13ClN2/c18-15-8-6-13(7-9-15)16-10-14(11-20-17(16)19)12-4-2-1-3-5-12/h1-11H,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134773 (CHEMBL3752536) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138135 (CHEMBL3754762) Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C16H12ClN3O/c17-13-4-1-10(2-5-13)14-7-12(9-20-16(14)18)11-3-6-15(21)19-8-11/h1-9H,(H2,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134771 (CHEMBL3754515) Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138134 (CHEMBL3754611) Show SMILES NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138127 (CHEMBL3753891) Show SMILES NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138160 (CHEMBL3753424) Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134772 (CHEMBL3754123) Show SMILES Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN5/c16-12-3-1-9(2-4-12)13-5-10(6-19-14(13)17)11-7-20-15(18)21-8-11/h1-8H,(H2,17,19)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138128 (CHEMBL3754730) Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C16H12ClN3O/c17-13-3-1-10(2-4-13)14-7-12(9-20-16(14)18)11-5-6-19-15(21)8-11/h1-9H,(H2,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138158 (CHEMBL3752854) Show SMILES COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C19H16N2O2/c1-23-18-8-6-14(7-9-18)17-10-16(11-21-12-17)13-2-4-15(5-3-13)19(20)22/h2-12H,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138137 (CHEMBL3754522) Show SMILES NC(=O)c1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClN3O/c18-14-7-5-11(6-8-14)15-9-10-20-17(21-15)13-3-1-12(2-4-13)16(19)22/h1-10H,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	861	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138143 (CHEMBL3753160) Show SMILES Cn1c(cnc1-c1ccc(cc1)C(N)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O/c1-21-15(11-6-8-14(18)9-7-11)10-20-17(21)13-4-2-12(3-5-13)16(19)22/h2-10H,1H3,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138159 (CHEMBL3752670) Show SMILES NC(=O)c1ccc(cc1)-c1cc(ccn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClN2O/c19-16-7-5-12(6-8-16)15-9-10-21-17(11-15)13-1-3-14(4-2-13)18(20)22/h1-11H,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50134771 (CHEMBL3754515) Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in HEK293 cells				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138153 (CHEMBL3754283) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1 Show InChI InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138135 (CHEMBL3754762) Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C16H12ClN3O/c17-13-4-1-10(2-5-13)14-7-12(9-20-16(14)18)11-3-6-15(21)19-8-11/h1-9H,(H2,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50134771 (CHEMBL3754515) Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138155 (CHEMBL3754304) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-13(7-9-16)17-10-15(11-22-18(17)20)12-2-4-14(5-3-12)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138162 (CHEMBL3752433) Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1 Show InChI InChI=1S/C21H18N2O2/c22-21(24)16-3-1-14(2-4-16)17-11-18(13-23-12-17)15-5-7-19(8-6-15)25-20-9-10-20/h1-8,11-13,20H,9-10H2,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134773 (CHEMBL3752536) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134774 (CHEMBL3754588) Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138162 (CHEMBL3752433) Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1 Show InChI InChI=1S/C21H18N2O2/c22-21(24)16-3-1-14(2-4-16)17-11-18(13-23-12-17)15-5-7-19(8-6-15)25-20-9-10-20/h1-8,11-13,20H,9-10H2,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 1 mM ATP by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50134772 (CHEMBL3754123) Show SMILES Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN5/c16-12-3-1-9(2-4-12)13-5-10(6-19-14(13)17)11-7-20-15(18)21-8-11/h1-8H,(H2,17,19)(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in HEK293 cells				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50134773 (CHEMBL3752536) Show SMILES NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138134 (CHEMBL3754611) Show SMILES NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAP4K4 catalytic domain in presence of 1 mM ATP by FRET assay				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138137 (CHEMBL3754522) Show SMILES NC(=O)c1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClN3O/c18-14-7-5-11(6-8-14)15-9-10-20-17(21-15)13-3-1-12(2-4-13)16(19)22/h1-10H,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138134 (CHEMBL3754611) Show SMILES NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138127 (CHEMBL3753891) Show SMILES NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50138159 (CHEMBL3752670) Show SMILES NC(=O)c1ccc(cc1)-c1cc(ccn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClN2O/c19-16-7-5-12(6-8-16)15-9-10-21-17(11-15)13-1-3-14(4-2-13)18(20)22/h1-11H,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA				ACS Med Chem Lett 6: 1128-33 (2015) Article DOI: 10.1021/acsmedchemlett.5b00215 BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair