BDBM50082576 3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid [4-guanidino-1-((R)-3-hydroxymethyl-piperidine-1-carbonyl)-butyl]-amide::CHEMBL140764

SMILES: CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC[C@@H](CO)C1

InChI Key: InChIKey=UZNQGSNEUKICQP-UPTPFMHGSA-N

Data: 1 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 1 hit for monomerid = 50082576   

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
Thrombin (Bos taurus (Bovine))	BDBM50082576 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC[C@@H](CO)C1 Show InChI InChI=1S/C22H36N6O4S/c1-15-11-17-6-2-8-19(20(17)26-12-15)33(31,32)27-18(7-3-9-25-22(23)24)21(30)28-10-4-5-16(13-28)14-29/h2,6,8,15-16,18,26-27,29H,3-5,7,9-14H2,1H3,(H4,23,24,25)/t15?,16-,18?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair