BDBM50076946 (S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetylamino]-4-piperidin-4-yl-butyramide::CHEMBL120328

SMILES: O=C(Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=IIVPRVZZJSGVHM-SANMLTNESA-N

Data: 2 IC50

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 = 50076946   

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))	BDBM50076946 ((S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulf...) Show SMILES O=C(Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H35N5O6S/c36-27(20-35-17-7-12-25(30(35)39)34-42(40,41)21-24-10-5-2-6-11-24)33-26(18-22-13-15-31-16-14-22)28(37)29(38)32-19-23-8-3-1-4-9-23/h1-12,17,22,26,31,34H,13-16,18-21H2,(H,32,38)(H,33,36)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin with respect to Argatroban				Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50076946 ((S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulf...) Show SMILES O=C(Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H35N5O6S/c36-27(20-35-17-7-12-25(30(35)39)34-42(40,41)21-24-10-5-2-6-11-24)33-26(18-22-13-15-31-16-14-22)28(37)29(38)32-19-23-8-3-1-4-9-23/h1-12,17,22,26,31,34H,13-16,18-21H2,(H,32,38)(H,33,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X with respect to Argatroban				Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J
					More data for this Ligand-Target Pair