BDBM50148930 CHEMBL3769748

SMILES: CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CC3CCNCC3)c2n1

InChI Key: InChIKey=GMQHFTHVKUIAEO-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 = 50148930   

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))	BDBM50148930 (CHEMBL3769748) Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CC3CCNCC3)c2n1 Show InChI InChI=1S/C26H28ClN7O/c1-3-30-26-31-13-19-10-21(25(35)34(24(19)33-26)15-17-6-8-28-9-7-17)20-5-4-18(11-22(20)27)23-14-29-12-16(2)32-23/h4-5,10-14,17,28H,3,6-9,15H2,1-2H3,(H,30,31,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	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))	BDBM50148930 (CHEMBL3769748) Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CC3CCNCC3)c2n1 Show InChI InChI=1S/C26H28ClN7O/c1-3-30-26-31-13-19-10-21(25(35)34(24(19)33-26)15-17-6-8-28-9-7-17)20-5-4-18(11-22(20)27)23-14-29-12-16(2)32-23/h4-5,10-14,17,28H,3,6-9,15H2,1-2H3,(H,30,31,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	145	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