BDBM50069192 CHEMBL48929::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide

SMILES: Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O

InChI Key: InChIKey=LLEHACLGNXKPPN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50069192   

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))	BDBM50069192 (CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was evaluated				Bioorg Med Chem Lett 8: 817-22 (1999) BindingDB Entry DOI: 10.7270/Q2JH3K9Z
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069192 (CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	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))	BDBM50069192 (CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	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
Trypsin-1 (Homo sapiens (Human))	BDBM50069192 (CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards trypsin was evaluated				Bioorg Med Chem Lett 8: 817-22 (1999) BindingDB Entry DOI: 10.7270/Q2JH3K9Z
					More data for this Ligand-Target Pair