BDBM50134773 CHEMBL3752536

SMILES: NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1

InChI Key: InChIKey=DXIZWXGKFCRUNM-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50134773   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 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) 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))	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 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) 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))	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 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) BindingDB Entry DOI: 10.7270/Q2028TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)