BDBM339927 Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate::US9758480, 213

SMILES: N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1

InChI Key:

Data: 1 IC50

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 = 339927   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM339927 (Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...) Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1 |r,wU:7.10,16.18,1.0,15.45,wD:4.3,(-11.94,-13.96,;-10.61,-14.73,;-10.61,-16.27,;-11.94,-17.04,;-9.27,-13.96,;-7.94,-14.73,;-6.61,-13.96,;-6.61,-12.42,;-7.94,-11.65,;-9.27,-12.42,;-5.27,-11.65,;-3.94,-12.42,;-5.27,-10.11,;-6.52,-9.21,;-6.04,-7.74,;-4.5,-7.74,;-4.03,-9.21,;-2.69,-9.98,;-2.69,-11.52,;-1.36,-9.21,;-.03,-9.98,;-.03,-11.52,;1.31,-12.29,;2.64,-11.52,;4.11,-12,;5.01,-10.75,;4.11,-9.5,;2.64,-9.98,;1.31,-9.21,;6.55,-10.75,;7.32,-9.42,;7.32,-12.08,;8.86,-12.08,;10.19,-11.31,;8.86,-10.54,;9.63,-13.42,;8.86,-14.75,;9.63,-16.08,;11.17,-16.08,;11.94,-14.75,;11.17,-13.42,;-3.41,-6.66,;-1.93,-7.05,;-.84,-5.97,;-1.24,-4.48,;-2.72,-4.08,;-3.81,-5.17,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description 0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...				US Patent US9758480 (2017) BindingDB Entry DOI: 10.7270/Q2D50Q33
					More data for this Ligand-Target Pair