BDBM50063602 CHEMBL3398630

SMILES: Cc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1

InChI Key: InChIKey=YKNGMHUUPJWLCO-IWQUUTMOSA-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 = 50063602   

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))	BDBM50063602 (CHEMBL3398630) Show SMILES Cc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r| Show InChI InChI=1S/C27H23Cl2N7O/c1-15-7-9-19(28)12-18(15)14-31-27(37)32-22(11-16-5-3-2-4-6-16)26-33-23(24(29)34-26)17-8-10-20-21(13-17)35-36-25(20)30/h2-10,12-13,22H,11,14,30H2,1H3,(H2,31,32,37)/b23-17-/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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 coagulation factor 11a at 25 degC				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair