BDBM50113825 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylicacid anion::CHEMBL315611

SMILES: CC1CCN(C(C1)C([O-])=O)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2C[C@@H](C)CNc12

InChI Key: InChIKey=KXNPVXPOPUZYGB-YCPQDUGXSA-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 = 50113825   

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))	BDBM50113825 (1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quin...) Show SMILES CC1CCN(C(C1)C([O-])=O)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2C[C@@H](C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14?,15-,17?,18?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against bovine Thrombin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair