BDBM50069932 Boropeptide analogue::CHEMBL105393

SMILES: OB(O)C(CCCNC=N)NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1

InChI Key: InChIKey=IGRCAZNQYXPQOS-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 = 50069932   

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))	BDBM50069932 (Boropeptide analogue | CHEMBL105393) Show SMILES OB(O)C(CCCNC=N)NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C24H33BN4O4/c26-19-27-16-7-12-22(25(32)33)28-23(30)18-29(17-15-21-10-5-2-6-11-21)24(31)14-13-20-8-3-1-4-9-20/h1-6,8-11,19,22,32-33H,7,12-18H2,(H2,26,27)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.890	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))	BDBM50069932 (Boropeptide analogue | CHEMBL105393) Show SMILES OB(O)C(CCCNC=N)NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C24H33BN4O4/c26-19-27-16-7-12-22(25(32)33)28-23(30)18-29(17-15-21-10-5-2-6-11-21)24(31)14-13-20-8-3-1-4-9-20/h1-6,8-11,19,22,32-33H,7,12-18H2,(H2,26,27)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	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