BDBM50293407 (S)-2-(5-(3-(4-carbamimidoylbenzylamino)-3-oxopropyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-ylamino)acetic acid .2,2,2-trifluoroacetic acid::CHEMBL549809

SMILES: NC(=N)c1ccc(CNC(=O)CCN2c3ccccc3SC[C@@H](NCC(O)=O)C2=O)cc1

InChI Key: InChIKey=SIWZMTQGCVYGLS-MRXNPFEDSA-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 = 50293407   

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))	BDBM50293407 ((S)-2-(5-(3-(4-carbamimidoylbenzylamino)-3-oxoprop...) Show SMILES NC(=N)c1ccc(CNC(=O)CCN2c3ccccc3SC[C@@H](NCC(O)=O)C2=O)cc1 |r| Show InChI InChI=1S/C22H25N5O4S/c23-21(24)15-7-5-14(6-8-15)11-26-19(28)9-10-27-17-3-1-2-4-18(17)32-13-16(22(27)31)25-12-20(29)30/h1-8,16,25H,9-13H2,(H3,23,24)(H,26,28)(H,29,30)/t16-/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	9.50E+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