BDBM50289530 CHEMBL3085115::N-(4-Amino-cyclohexylmethyl)-2-[6-methyl-2-oxo-3-(toluene-4-sulfonylamino)-2H-pyridin-1-yl]-acetamide

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NC[C@H]2CC[C@H](N)CC2)c1=O

InChI Key: InChIKey=ZMFLYRYPNJTGRJ-IYARVYRRSA-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 = 50289530   

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))	BDBM50289530 (CHEMBL3085115 | N-(4-Amino-cyclohexylmethyl)-2-[6-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NC[C@H]2CC[C@H](N)CC2)c1=O |wU:22.22,wD:25.26,(-7.05,-12.41,;-5.72,-11.62,;-5.72,-10.08,;-4.37,-9.31,;-3.04,-10.09,;-3.07,-11.62,;-4.37,-12.4,;-1.71,-9.31,;-.62,-8.22,;-2.8,-8.22,;-.38,-10.09,;.94,-9.31,;.94,-7.77,;2.27,-7,;3.63,-7.77,;4.95,-6.98,;3.63,-9.31,;4.95,-10.09,;4.95,-11.62,;6.28,-12.39,;3.63,-12.4,;4.02,-13.89,;5.5,-14.28,;6.59,-13.19,;8.07,-13.61,;8.46,-15.1,;9.95,-15.5,;7.37,-16.18,;5.89,-15.78,;2.27,-10.09,;2.27,-11.62,)| Show InChI InChI=1S/C22H30N4O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-5,10-12,17-18,25H,6-9,13-14,23H2,1-2H3,(H,24,27)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human thrombin				Bioorg Med Chem Lett 7: 1497-1500 (1997) Article DOI: 10.1016/S0960-894X(97)00257-6 BindingDB Entry DOI: 10.7270/Q2P55P15
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50289530 (CHEMBL3085115 | N-(4-Amino-cyclohexylmethyl)-2-[6-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NC[C@H]2CC[C@H](N)CC2)c1=O |wU:22.22,wD:25.26,(-7.05,-12.41,;-5.72,-11.62,;-5.72,-10.08,;-4.37,-9.31,;-3.04,-10.09,;-3.07,-11.62,;-4.37,-12.4,;-1.71,-9.31,;-.62,-8.22,;-2.8,-8.22,;-.38,-10.09,;.94,-9.31,;.94,-7.77,;2.27,-7,;3.63,-7.77,;4.95,-6.98,;3.63,-9.31,;4.95,-10.09,;4.95,-11.62,;6.28,-12.39,;3.63,-12.4,;4.02,-13.89,;5.5,-14.28,;6.59,-13.19,;8.07,-13.61,;8.46,-15.1,;9.95,-15.5,;7.37,-16.18,;5.89,-15.78,;2.27,-10.09,;2.27,-11.62,)| Show InChI InChI=1S/C22H30N4O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-5,10-12,17-18,25H,6-9,13-14,23H2,1-2H3,(H,24,27)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human trypsin				Bioorg Med Chem Lett 7: 1497-1500 (1997) Article DOI: 10.1016/S0960-894X(97)00257-6 BindingDB Entry DOI: 10.7270/Q2P55P15
					More data for this Ligand-Target Pair