BDBM3397 2-Butanol deriv. 4::N-tert-butyl-2-(3-{[2-(tert-butylcarbamoyl)phenyl]sulfanyl}-2-hydroxypropyl)benzamide::diarylbutanol deriv. 4::tert-Butyl-2-[3-[[2-(tert-Butylcarbamoyl)phenyl]sulfanyl]-2-hydroxypropyl]benzamide

SMILES: CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=XXMWJVHFFWXJGR-UHFFFAOYSA-N

Data: 2 KI

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 = 3397   

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)	BDBM3397 (2-Butanol deriv. 4 | N-tert-butyl-2-(3-{[2-(tert-b...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C25H34N2O3S/c1-24(2,3)26-22(29)19-12-8-7-11-17(19)15-18(28)16-31-21-14-10-9-13-20(21)23(30)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,29)(H,27,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.30E+4	-5.79	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)	BDBM3397 (2-Butanol deriv. 4 | N-tert-butyl-2-(3-{[2-(tert-b...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C25H34N2O3S/c1-24(2,3)26-22(29)19-12-8-7-11-17(19)15-18(28)16-31-21-14-10-9-13-20(21)23(30)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,29)(H,27,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.30E+4	-5.79	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...				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