BDBM50539661 CHEMBL4643121

SMILES: COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)C(O)=O)c1

InChI Key: InChIKey=GGURWVUGCLEANN-DCDXFJKZSA-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 = 50539661   

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))	BDBM50539661 (CHEMBL4643121) Show SMILES COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)C(O)=O)c1 |r| Show InChI InChI=1S/C30H29ClN8O5/c1-44-30(43)34-21-8-9-22-18-12-13-32-26(15-18)23(4-2-3-5-24(29(41)42)35-25(22)16-21)36-28(40)11-6-19-14-20(31)7-10-27(19)39-17-33-37-38-39/h6-17,23-24,35H,2-5H2,1H3,(H,34,43)(H,36,40)(H,41,42)/b11-6+/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.60	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 recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair