BDBM4265 (2-Ethyl-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-Pro-NH-t-Bu::(2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formamido]-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxamide::AHPBA 34

SMILES: CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=CXFJYDPGWULAOP-CKLTXHEASA-N

Data: 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 1 hit for monomerid = 4265   

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)	BDBM4265 ((2-Ethyl-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...) Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H36ClN3O5/c1-5-19-20(12-9-13-23(19)33)25(35)30-21(14-17-10-7-6-8-11-17)24(34)27(37)32-16-18(29)15-22(32)26(36)31-28(2,3)4/h6-13,18,21-22,24,33-34H,5,14-16H2,1-4H3,(H,30,35)(H,31,36)/t18-,21-,22-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd.					Assay Description The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...				Bioorg Med Chem 6: 595-604 (1998) Article DOI: 10.1016/s0968-0896(98)00004-2 BindingDB Entry DOI: 10.7270/Q2QN64XQ
					More data for this Ligand-Target Pair