BDBM50293398 CHEMBL552926::{(3S)-5-[2-({4-[Amino(imino)methyl]benzyl}amino)-2-oxoethyl]-3-[benzylsulfonylamino]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl}-propanoic acid, trifluoroacetate

SMILES: NC(=N)c1ccc(CNC(=O)CN2c3ccc(CCC(O)=O)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1

InChI Key: InChIKey=POHVUHYKRTXBCR-HSZRJFAPSA-N

Data: 1 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 1 hit for monomerid = 50293398   

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
Coagulation factor VII/tissue factor (Homo sapiens (Human))	BDBM50293398 (CHEMBL552926 | {(3S)-5-[2-({4-[Amino(imino)methyl]...) Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(CCC(O)=O)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C29H31N5O6S2/c30-28(31)22-10-6-20(7-11-22)15-32-26(35)16-34-24-12-8-19(9-13-27(36)37)14-25(24)41-17-23(29(34)38)33-42(39,40)18-21-4-2-1-3-5-21/h1-8,10-12,14,23,33H,9,13,15-18H2,(H3,30,31)(H,32,35)(H,36,37)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier 1 Curated by ChEMBL					Assay Description Inhibition of human tissue factor/factor 7a				Bioorg Med Chem Lett 19: 1386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.039 BindingDB Entry DOI: 10.7270/Q2G73DRB
					More data for this Ligand-Target Pair