BDBM50069934 Boropeptide analogue::CHEMBL431056

SMILES: NCCCCC(NC(=O)CN(CC1(CCCC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O

InChI Key: InChIKey=NGKBEHNBFCCOSR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50069934   

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))	BDBM50069934 (Boropeptide analogue | CHEMBL431056) Show SMILES NCCCCC(NC(=O)CN(CC1(CCCC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C28H40BN3O4/c30-20-10-7-15-25(29(35)36)31-26(33)21-32(27(34)17-16-23-11-3-1-4-12-23)22-28(18-8-9-19-28)24-13-5-2-6-14-24/h1-6,11-14,25,35-36H,7-10,15-22,30H2,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin was tested.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50069934 (Boropeptide analogue | CHEMBL431056) Show SMILES NCCCCC(NC(=O)CN(CC1(CCCC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C28H40BN3O4/c30-20-10-7-15-25(29(35)36)31-26(33)21-32(27(34)17-16-23-11-3-1-4-12-23)22-28(18-8-9-19-28)24-13-5-2-6-14-24/h1-6,11-14,25,35-36H,7-10,15-22,30H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity towards complement factor Xa.				Bioorg Med Chem Lett 8: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2542MRM
					More data for this Ligand-Target Pair