BDBM50148918 CHEMBL3769552

SMILES: CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1

InChI Key: InChIKey=ZVGQZSQDTLALCO-SFHVURJKSA-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 = 50148918   

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))	BDBM50148918 (CHEMBL3769552) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1 |r| Show InChI InChI=1S/C26H25ClF2N6O/c1-15-4-3-5-22(33-15)16-6-7-19(21(27)11-16)20-10-17-12-32-25(30-2)34-23(17)35(24(20)36)13-18-8-9-31-14-26(18,28)29/h3-7,10-12,18,31H,8-9,13-14H2,1-2H3,(H,30,32,34)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	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))	BDBM50148918 (CHEMBL3769552) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1 |r| Show InChI InChI=1S/C26H25ClF2N6O/c1-15-4-3-5-22(33-15)16-6-7-19(21(27)11-16)20-10-17-12-32-25(30-2)34-23(17)35(24(20)36)13-18-8-9-31-14-26(18,28)29/h3-7,10-12,18,31H,8-9,13-14H2,1-2H3,(H,30,32,34)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	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