Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50484736'   

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))	BDBM50484736 (CHEMBL1957070) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccc(O)c1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C32H40N2O8S/c1-22(2)19-34(43(38,39)29-13-11-27(40-3)12-14-29)20-31(36)30(33-32(37)42-28-15-16-41-21-28)17-23-7-9-24(10-8-23)25-5-4-6-26(35)18-25/h4-14,18,22,28,30-31,35-36H,15-17,19-21H2,1-3H3,(H,33,37)/t28-,30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
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