BDBM50141555 Azaphenylalanine derivative::CHEMBL43017

SMILES: NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)C(=O)N2CCCCCC2)cc1

InChI Key: InChIKey=HKQWJPPYHAXFFW-UHFFFAOYSA-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 = 50141555   

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))	BDBM50141555 (Azaphenylalanine derivative | CHEMBL43017) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C27H31N5O3S/c28-26(29)24-12-10-21(11-13-24)20-32(27(33)31-18-6-1-2-7-19-31)30-36(34,35)25-16-14-23(15-17-25)22-8-4-3-5-9-22/h3-5,8-17,30H,1-2,6-7,18-20H2,(H3,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50141555 (Azaphenylalanine derivative | CHEMBL43017) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)C(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C27H31N5O3S/c28-26(29)24-12-10-21(11-13-24)20-32(27(33)31-18-6-1-2-7-19-31)30-36(34,35)25-16-14-23(15-17-25)22-8-4-3-5-9-22/h3-5,8-17,30H,1-2,6-7,18-20H2,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
					More data for this Ligand-Target Pair