BDBM3396 2-Butanol deriv. 3::N-tert-Butyl-2-{3-[[2-[(2,2-dimethylpropionyl)amino]phenyl]sulfanyl]-2-hydroxypropyl}benzamide::N-tert-butyl-2-(3-{[2-(2,2-dimethylpropanamido)phenyl]sulfanyl}-2-hydroxypropyl)benzamide::diarylbutanol deriv. 3

SMILES: CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1NC(=O)C(C)(C)C

InChI Key: InChIKey=PKEKSGJEJIRAGU-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 3396   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM3396 (2-Butanol deriv. 3 | N-tert-Butyl-2-{3-[[2-[(2,2-d...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1NC(=O)C(C)(C)C Show InChI InChI=1S/C25H34N2O3S/c1-24(2,3)23(30)26-20-13-9-10-14-21(20)31-16-18(28)15-17-11-7-8-12-19(17)22(29)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,30)(H,27,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	>-5.67	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM3396 (2-Butanol deriv. 3 | N-tert-Butyl-2-{3-[[2-[(2,2-d...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1NC(=O)C(C)(C)C Show InChI InChI=1S/C25H34N2O3S/c1-24(2,3)23(30)26-20-13-9-10-14-21(20)31-16-18(28)15-17-11-7-8-12-19(17)22(29)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,30)(H,27,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				J Med Chem 39: 2781-94 (1996) Article DOI: 10.1021/jm960093o BindingDB Entry DOI: 10.7270/Q2K072F6
					More data for this Ligand-Target Pair