BDBM50126493 2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide::CHEMBL32541

SMILES: Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1

InChI Key: InChIKey=IJSYTGOVBUKMCA-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 = 50126493   

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))	BDBM50126493 (2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...) Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 13: 1441-4 (2003) BindingDB Entry DOI: 10.7270/Q2736Q8C
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50126493 (2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...) Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human trypsin				Bioorg Med Chem Lett 13: 1441-4 (2003) BindingDB Entry DOI: 10.7270/Q2736Q8C
					More data for this Ligand-Target Pair