BDBM50139747 CHEMBL164138::CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE::Cyclopentanecarboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide

SMILES: NC(=N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=NQABUEUFRXDDFI-AWEZNQCLSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50139747   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50139747 (CHEMBL164138 | CYCLOPENTANECARBOXYLIC ACID [1-(BEN...) Show SMILES NC(=N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity of the compound against human alpha trypsin				J Med Chem 47: 769-87 (2004) Article DOI: 10.1021/jm030493t BindingDB Entry DOI: 10.7270/Q2251HN2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50139747 (CHEMBL164138 | CYCLOPENTANECARBOXYLIC ACID [1-(BEN...) Show SMILES NC(=N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				J Med Chem 47: 769-87 (2004) Article DOI: 10.1021/jm030493t BindingDB Entry DOI: 10.7270/Q2251HN2
					More data for this Ligand-Target Pair