BDBM50148923 CHEMBL3770943

SMILES: CNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CNCCO3)c2n1

InChI Key: InChIKey=BSGQVUPHCVNSRM-QGZVFWFLSA-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 = 50148923   

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))	BDBM50148923 (CHEMBL3770943) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CNCCO3)c2n1 |r| Show InChI InChI=1S/C24H24ClN7O2/c1-14-9-28-12-21(30-14)15-3-4-18(20(25)8-15)19-7-16-10-29-24(26-2)31-22(16)32(23(19)33)13-17-11-27-5-6-34-17/h3-4,7-10,12,17,27H,5-6,11,13H2,1-2H3,(H,26,29,31)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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))	BDBM50148923 (CHEMBL3770943) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CNCCO3)c2n1 |r| Show InChI InChI=1S/C24H24ClN7O2/c1-14-9-28-12-21(30-14)15-3-4-18(20(25)8-15)19-7-16-10-29-24(26-2)31-22(16)32(23(19)33)13-17-11-27-5-6-34-17/h3-4,7-10,12,17,27H,5-6,11,13H2,1-2H3,(H,26,29,31)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	399	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