Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50532833'   

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 immunodeficiency virus 1 (HIV-1))	BDBM50532833 (CHEMBL4581883) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r,TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C31H47N3O7S/c1-19(2)16-34(42(37,38)24-5-3-23(32)4-6-24)17-27(35)26(15-31-12-20-9-21(13-31)11-22(10-20)14-31)33-30(36)41-28-18-40-29-25(28)7-8-39-29/h3-6,19-22,25-29,35H,7-18,32H2,1-2H3,(H,33,36)/t20?,21?,22?,25-,26-,27+,28-,29+,31?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Abz-NleF*-6 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluoro...				J Med Chem 59: 6826-37 (2016) Article DOI: 10.1021/acs.jmedchem.6b00639 BindingDB Entry DOI: 10.7270/Q2CJ8HZB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50532833 (CHEMBL4581883) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r,TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C31H47N3O7S/c1-19(2)16-34(42(37,38)24-5-3-23(32)4-6-24)17-27(35)26(15-31-12-20-9-21(13-31)11-22(10-20)14-31)33-30(36)41-28-18-40-29-25(28)7-8-39-29/h3-6,19-22,25-29,35H,7-18,32H2,1-2H3,(H,33,36)/t20?,21?,22?,25-,26-,27+,28-,29+,31?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Abz-NleF*-6 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluoro...				J Med Chem 59: 6826-37 (2016) Article DOI: 10.1021/acs.jmedchem.6b00639 BindingDB Entry DOI: 10.7270/Q2CJ8HZB
					More data for this Ligand-Target Pair