BDBM50141560 Azaphenylalanine derivative::CHEMBL41220

SMILES: NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

InChI Key: InChIKey=KFGUVXFIUYMGHH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50141560   

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))	BDBM50141560 (Azaphenylalanine derivative | CHEMBL41220) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-33(31,32)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27H,1,4-5,14-15,17H2,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	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))	BDBM50141560 (Azaphenylalanine derivative | CHEMBL41220) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-33(31,32)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27H,1,4-5,14-15,17H2,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+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
Coagulation factor X (Homo sapiens (Human))	BDBM50141560 (Azaphenylalanine derivative | CHEMBL41220) Show SMILES NC(=N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-33(31,32)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27H,1,4-5,14-15,17H2,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60E+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 Coagulation factor X				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