BDBM50449512 CHEMBL4161228

SMILES: OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)cc3F)c2c1)c1ccccc1

InChI Key: InChIKey=OSRLMWDIHJMHCE-PDWGEAQMSA-N

Data: 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 1 hit for monomerid = 50449512   

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
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50449512 (CHEMBL4161228) Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)cc3F)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20F2N4O3/c28-17-7-8-18(20(29)13-17)23(25-30-10-11-31-25)24-19-12-16(6-9-21(19)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	706	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay				Eur J Med Chem 155: 197-209 (2018) Article DOI: 10.1016/j.ejmech.2018.05.051 BindingDB Entry DOI: 10.7270/Q2KD21GG
					More data for this Ligand-Target Pair