Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50480047'   

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))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480047 (CHEMBL466502) Show SMILES CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H](NC(C)(C)C)C(C)C)C1[O-] |r| Show InChI InChI=1S/C30H49N5O4/c1-19(2)23(31)26(37)34-30(18-21-12-9-8-10-13-21)15-17-35(28(30)39)16-11-14-22(35)25(36)32-27(38)24(20(3)4)33-29(5,6)7/h8-10,12-13,19-20,22-24,28,33H,11,14-18,31H2,1-7H3,(H,34,37)(H,32,36,38)/t22-,23-,24-,28?,30-,35?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair