BDBM253005 US9469608, 33-7

SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1OCc2ccccc12

InChI Key: InChIKey=MGXXZJAVTUUIHX-OYKVQYDMSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 253005   

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))	BDBM253005 (US9469608, 33-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1OCc2ccccc12 |r| Show InChI InChI=1S/C21H22ClN3O3/c22-16-6-5-13(10-23)15(9-16)11-24-20(26)18-7-8-25(18)21(27)19-17-4-2-1-3-14(17)12-28-19/h1-6,9,18-19H,7-8,10-12,23H2,(H,24,26)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair