BDBM50087440 CHEMBL3426630

SMILES: CC(C)OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1

InChI Key: InChIKey=KPLFUEGIOGZWKT-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087440   

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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50087440 (CHEMBL3426630) Show SMILES CC(C)OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1 Show InChI InChI=1S/C30H27FN4O4/c1-18(2)39-30(38)22-7-4-8-24(14-22)34-28(36)20-6-3-5-19(13-20)25-15-21(9-10-23(25)16-32)29(37)35-27-11-12-33-17-26(27)31/h3-15,17-18H,16,32H2,1-2H3,(H,34,36)(H,33,35,37)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Agoralaan Abis Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...				J Med Chem 58: 4309-24 (2015) Article DOI: 10.1021/acs.jmedchem.5b00308 BindingDB Entry DOI: 10.7270/Q2H41T4R
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