BDBM50004740 CHEMBL2370449::Hirudin analogue

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]\[#6]=[#6]\[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key: InChIKey=DGHXJIMVZUZNHG-PFDIKQLDSA-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 = 50004740   

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))	BDBM50004740 (CHEMBL2370449 | Hirudin analogue) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]\[#6]=[#6]\[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C72H104N14O18/c1-6-44(4)62(70(102)86-38-20-27-55(86)66(98)82-53(71(103)104)39-43(2)3)83-67(99)56-28-19-36-84(56)68(100)49(32-33-60(91)92)80-63(95)50(40-46-21-9-7-10-22-46)81-64(96)51(42-61(93)94)78-59(90)31-15-16-34-75-58(89)30-14-13-29-57(88)48(25-17-35-76-72(73)74)79-65(97)54-26-18-37-85(54)69(101)52(77-45(5)87)41-47-23-11-8-12-24-47/h7-12,15-16,21-24,43-44,48-56,62H,6,13-14,17-20,25-42H2,1-5H3,(H,75,89)(H,77,87)(H,78,90)(H,79,97)(H,80,95)(H,81,96)(H,82,98)(H,83,99)(H,91,92)(H,93,94)(H,103,104)(H4,73,74,76)/b16-15+/t44-,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council of Canada Curated by ChEMBL					Assay Description Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc				J Med Chem 35: 3331-41 (1992) BindingDB Entry DOI: 10.7270/Q2FX78D9
					More data for this Ligand-Target Pair