BDBM50148919 CHEMBL3770363

SMILES: CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CC3COC4(CNC4)OC3)c2n1

InChI Key: InChIKey=UFUJWBLMFIYWJW-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50148919   

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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50148919 (CHEMBL3770363) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CC3COC4(CNC4)OC3)c2n1 Show InChI InChI=1S/C27H27ClN6O3/c1-16-4-3-5-23(32-16)18-6-7-20(22(28)9-18)21-8-19-10-31-26(29-2)33-24(19)34(25(21)35)11-17-12-36-27(37-13-17)14-30-15-27/h3-10,17,30H,11-15H2,1-2H3,(H,29,31,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...				ACS Med Chem Lett 6: 1241-6 (2015) BindingDB Entry DOI: 10.7270/Q2MP554V
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50148919 (CHEMBL3770363) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CC3COC4(CNC4)OC3)c2n1 Show InChI InChI=1S/C27H27ClN6O3/c1-16-4-3-5-23(32-16)18-6-7-20(22(28)9-18)21-8-19-10-31-26(29-2)33-24(19)34(25(21)35)11-17-12-36-27(37-13-17)14-30-15-27/h3-10,17,30H,11-15H2,1-2H3,(H,29,31,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PAK1 in human EBC1 cells assessed as reduction in levels of MEK phosphorylation at S298 residue after 2 hrs by HTRF assay				ACS Med Chem Lett 6: 1241-6 (2015) BindingDB Entry DOI: 10.7270/Q2MP554V
					More data for this Ligand-Target Pair