BDBM50098892 4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoic acid ethylcarbamoylmethyl-amide::CHEMBL25199

SMILES: CCNC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1

InChI Key: InChIKey=VVVQOYXKOOPULV-UHFFFAOYSA-N

Data: 2 KI

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 = 50098892   

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
Chymase (Homo sapiens (Human))	BDBM50098892 (4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...) Show SMILES CCNC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1 Show InChI InChI=1S/C28H30F2N6O5/c1-3-32-22(37)15-34-27(41)28(29,30)24(39)21(13-18-9-5-4-6-10-18)35-23(38)16-36-25(33-14-20(31)26(36)40)19-11-7-8-17(2)12-19/h4-12,14,21H,3,13,15-16,31H2,1-2H3,(H,32,37)(H,34,41)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against human heart chymase				J Med Chem 44: 1297-304 (2001) BindingDB Entry DOI: 10.7270/Q22R3SCD
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50098892 (4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...) Show SMILES CCNC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1 Show InChI InChI=1S/C28H30F2N6O5/c1-3-32-22(37)15-34-27(41)28(29,30)24(39)21(13-18-9-5-4-6-10-18)35-23(38)16-36-25(33-14-20(31)26(36)40)19-11-7-8-17(2)12-19/h4-12,14,21H,3,13,15-16,31H2,1-2H3,(H,32,37)(H,34,41)(H,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against bovine pancreas chymotrypsin				J Med Chem 44: 1297-304 (2001) BindingDB Entry DOI: 10.7270/Q22R3SCD
					More data for this Ligand-Target Pair