BDBM50201643 CHEMBL3935195

SMILES: CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F

InChI Key: InChIKey=MUTUMOBIBVSADG-UHFFFAOYSA-N

Data: 2 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 = 50201643   

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))	BDBM50201643 (CHEMBL3935195) Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 phosphorylation in human MCF10A cells				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50201643 (CHEMBL3935195) Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair