BDBM25493 4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide::Dihydropyrimidine, 22

SMILES: CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=UYYWLFZGFMIWIW-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 = 25493   

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))	BDBM25493 (4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...) Show SMILES CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1| Show InChI InChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-16-3-5-19-14(8-16)11-29-33-19)22(17-4-2-15(25)10-18(17)27)32-23(30-12)13-6-7-28-20(26)9-13/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34)	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	4	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
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