BDBM50069930 Boropeptide analogue::CHEMBL320019

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

InChI Key: InChIKey=RDRHNQRAGYVVLX-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 = 50069930   

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))	BDBM50069930 (Boropeptide analogue | CHEMBL320019) Show SMILES NCCCCC(NC(=O)CN(CC1(CC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C26H36BN3O4/c28-18-8-7-13-23(27(33)34)29-24(31)19-30(25(32)15-14-21-9-3-1-4-10-21)20-26(16-17-26)22-11-5-2-6-12-22/h1-6,9-12,23,33-34H,7-8,13-20,28H2,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	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))	BDBM50069930 (Boropeptide analogue | CHEMBL320019) Show SMILES NCCCCC(NC(=O)CN(CC1(CC1)c1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C26H36BN3O4/c28-18-8-7-13-23(27(33)34)29-24(31)19-30(25(32)15-14-21-9-3-1-4-10-21)20-26(16-17-26)22-11-5-2-6-12-22/h1-6,9-12,23,33-34H,7-8,13-20,28H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	438	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