BDBM253001 US9469608, 29-9b

SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(N)CCc2cccnc12

InChI Key: InChIKey=DIDMYCBKRZYIHV-PGRDOPGGSA-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 = 253001   

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))	BDBM253001 (US9469608, 29-9b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(N)CCc2cccnc12 |r| Show InChI InChI=1S/C22H26ClN5O2/c23-17-6-5-15(12-24)16(11-17)13-27-20(29)18-4-2-10-28(18)21(30)22(25)8-7-14-3-1-9-26-19(14)22/h1,3,5-6,9,11,18H,2,4,7-8,10,12-13,24-25H2,(H,27,29)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	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