BDBM50070827 CHEMBL46135::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(4-chloro-phenylmethanesulfonylamino)-2-oxo-6-trifluoromethyl-2H-pyridin-1-yl]-acetamide

SMILES: Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C(F)(F)F

InChI Key: InChIKey=AYNARFDPQHXARE-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 = 50070827   

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
Prothrombin (Homo sapiens (Human))	BDBM50070827 (CHEMBL46135 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C(F)(F)F Show InChI InChI=1S/C22H21ClF3N5O4S/c1-13-15(4-9-19(27)29-13)10-28-20(32)11-31-18(22(24,25)26)8-7-17(21(31)33)30-36(34,35)12-14-2-5-16(23)6-3-14/h2-9,30H,10-12H2,1H3,(H2,27,29)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated to inhibit the thrombin enzyme				Bioorg Med Chem Lett 8: 1719-24 (1999) BindingDB Entry DOI: 10.7270/Q2319V13
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50070827 (CHEMBL46135 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C(F)(F)F Show InChI InChI=1S/C22H21ClF3N5O4S/c1-13-15(4-9-19(27)29-13)10-28-20(32)11-31-18(22(24,25)26)8-7-17(21(31)33)30-36(34,35)12-14-2-5-16(23)6-3-14/h2-9,30H,10-12H2,1H3,(H2,27,29)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated to inhibit the trypsin enzyme				Bioorg Med Chem Lett 8: 1719-24 (1999) BindingDB Entry DOI: 10.7270/Q2319V13
					More data for this Ligand-Target Pair