BDBM50250494 CHEMBL4089581

SMILES: OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCCCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=HRMWFTYFCOFYPO-AVWDPNAHSA-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 = 50250494   

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))	BDBM50250494 (CHEMBL4089581) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCCCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C32H27ClFN7O5/c33-24-12-13-26(41-18-35-37-38-41)23(29(24)34)11-14-28(43)40-17-15-21-22(4-3-5-25(21)39-16-2-1-6-27(39)42)30(40)31(44)36-20-9-7-19(8-10-20)32(45)46/h3-5,7-14,18,30H,1-2,6,15-17H2,(H,36,44)(H,45,46)/b14-11+/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair