BDBM50034588 CHEMBL286606::Peptide boronate

SMILES: CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCCBr)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=NCDHKRAKNPGZPV-BZUNMKEDSA-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 = 50034588   

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))	BDBM50034588 (CHEMBL286606 | Peptide boronate) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCCBr)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C36H47BBrN3O6/c1-35(2)26-21-29(35)36(3)30(22-26)46-37(47-36)31(17-10-18-38)40-32(42)28-16-11-19-41(28)33(43)27(20-24-12-6-4-7-13-24)39-34(44)45-23-25-14-8-5-9-15-25/h4-9,12-15,26-31H,10-11,16-23H2,1-3H3,(H,39,44)(H,40,42)/t26?,27-,28-,29?,30+,31?,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity against thrombin				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50034588 (CHEMBL286606 | Peptide boronate) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCCBr)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C36H47BBrN3O6/c1-35(2)26-21-29(35)36(3)30(22-26)46-37(47-36)31(17-10-18-38)40-32(42)28-16-11-19-41(28)33(43)27(20-24-12-6-4-7-13-24)39-34(44)45-23-25-14-8-5-9-15-25/h4-9,12-15,26-31H,10-11,16-23H2,1-3H3,(H,39,44)(H,40,42)/t26?,27-,28-,29?,30+,31?,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity against thrombin				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair