Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50034577'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50034577 (CHEMBL291026 | Peptide boronate) Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C38H52BN3O6/c1-5-6-9-20-33(39-47-32-24-28-23-31(37(28,2)3)38(32,4)48-39)41-34(43)30-19-14-21-42(30)35(44)29(22-26-15-10-7-11-16-26)40-36(45)46-25-27-17-12-8-13-18-27/h7-8,10-13,15-18,28-33H,5-6,9,14,19-25H2,1-4H3,(H,40,45)(H,41,43)/t28?,29-,30-,31?,32+,33?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0190	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 gamma 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))	BDBM50034577 (CHEMBL291026 | Peptide boronate) Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C38H52BN3O6/c1-5-6-9-20-33(39-47-32-24-28-23-31(37(28,2)3)38(32,4)48-39)41-34(43)30-19-14-21-42(30)35(44)29(22-26-15-10-7-11-16-26)40-36(45)46-25-27-17-12-8-13-18-27/h7-8,10-13,15-18,28-33H,5-6,9,14,19-25H2,1-4H3,(H,40,45)(H,41,43)/t28?,29-,30-,31?,32+,33?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0190	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 alpha 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))	BDBM50034577 (CHEMBL291026 | Peptide boronate) Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C38H52BN3O6/c1-5-6-9-20-33(39-47-32-24-28-23-31(37(28,2)3)38(32,4)48-39)41-34(43)30-19-14-21-42(30)35(44)29(22-26-15-10-7-11-16-26)40-36(45)46-25-27-17-12-8-13-18-27/h7-8,10-13,15-18,28-33H,5-6,9,14,19-25H2,1-4H3,(H,40,45)(H,41,43)/t28?,29-,30-,31?,32+,33?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	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