Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM40775'   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM40775 (Carbinol, 18a) Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O3/c38-33(23-31(21-27-13-5-1-6-14-27)34(39)36-25-29-17-9-3-10-18-29)24-32(22-28-15-7-2-8-16-28)35(40)37-26-30-19-11-4-12-20-30/h1-20,31-33,38H,21-26H2,(H,36,39)(H,37,40)/t31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York					Assay Description Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.				Chem Biol 8: 1161-6 (2001) Article DOI: 10.1016/S1074-5521(01)00079-5 BindingDB Entry DOI: 10.7270/Q20V8B63
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