BDBM50126498 2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide::CHEMBL32471

SMILES: Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=PHRWYOPYWKQSEZ-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 = 50126498   

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))	BDBM50126498 (2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O4S/c1-14-10-18(32(30,31)13-16-6-4-3-5-7-16)21(24)22(29)27(14)12-20(28)25-11-17-8-9-19(23)26-15(17)2/h3-10H,11-13,24H2,1-2H3,(H2,23,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description 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))	BDBM50126498 (2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O4S/c1-14-10-18(32(30,31)13-16-6-4-3-5-7-16)21(24)22(29)27(14)12-20(28)25-11-17-8-9-19(23)26-15(17)2/h3-10H,11-13,24H2,1-2H3,(H2,23,26)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+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 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