BDBM50076947 (S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetylamino]-4-piperidin-4-yl-butyramide::CHEMBL281130

SMILES: O=C(CN1CCCCC(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=GZNIESCUBHGBRT-GEVKEYJPSA-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 = 50076947   

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))	BDBM50076947 ((S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulf...) Show SMILES O=C(CN1CCCCC(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H41N5O6S/c37-28(21-36-18-8-7-13-26(31(36)40)35-43(41,42)22-25-11-5-2-6-12-25)34-27(19-23-14-16-32-17-15-23)29(38)30(39)33-20-24-9-3-1-4-10-24/h1-6,9-12,23,26-27,32,35H,7-8,13-22H2,(H,33,39)(H,34,37)/t26?,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	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))	BDBM50076947 ((S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulf...) Show SMILES O=C(CN1CCCCC(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H41N5O6S/c37-28(21-36-18-8-7-13-26(31(36)40)35-43(41,42)22-25-11-5-2-6-12-25)34-27(19-23-14-16-32-17-15-23)29(38)30(39)33-20-24-9-3-1-4-10-24/h1-6,9-12,23,26-27,32,35H,7-8,13-22H2,(H,33,39)(H,34,37)/t26?,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+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