BDBM25500 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methylpyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide::Dihydropyrimidine, 29

SMILES: CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F

InChI Key: InChIKey=JPOJPLNOODEZLH-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 = 25500   

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 1 (Homo sapiens (Human))	BDBM25500 (4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol...) Show SMILES CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1| Show InChI InChI=1S/C25H19ClF2N6O/c1-12-7-14(5-6-29-12)24-31-13(2)22(23(33-24)17-4-3-16(26)9-18(17)27)25(35)32-21-8-15-11-30-34-20(15)10-19(21)28/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair