Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50242960'   

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
Protease (Human T-lymphotropic virus 1)	BDBM50242960 ((R)-3-((2S,3S)-2-hydroxy-3-((S)-2-((S)-2-isobutyra...) Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C38H55N5O6S/c1-23(2)21-39-35(48)31-38(8,9)50-22-43(31)36(49)29(44)27(20-25-16-12-10-13-17-25)40-34(47)30(37(5,6)7)42-33(46)28(41-32(45)24(3)4)26-18-14-11-15-19-26/h10-19,23-24,27-31,44H,20-22H2,1-9H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t27-,28-,29-,30+,31+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HTLV1 protease1				Bioorg Med Chem 16: 5795-802 (2008) Article DOI: 10.1016/j.bmc.2008.03.055 BindingDB Entry DOI: 10.7270/Q2VT1RWS
					More data for this Ligand-Target Pair
Protease (Human T-cell leukemia virus type I)	BDBM50242960 ((R)-3-((2S,3S)-2-hydroxy-3-((S)-2-((S)-2-isobutyra...) Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C38H55N5O6S/c1-23(2)21-39-35(48)31-38(8,9)50-22-43(31)36(49)29(44)27(20-25-16-12-10-13-17-25)40-34(47)30(37(5,6)7)42-33(46)28(41-32(45)24(3)4)26-18-14-11-15-19-26/h10-19,23-24,27-31,44H,20-22H2,1-9H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t27-,28-,29-,30+,31+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HTLV1 protease L40I mutant				Bioorg Med Chem 16: 6880-90 (2008) Article DOI: 10.1016/j.bmc.2008.05.052 BindingDB Entry DOI: 10.7270/Q25B059Q
					More data for this Ligand-Target Pair