BDBM4128 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(4-fluorophenyl)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]butanoyl]pyrrolidine-2-carboxamide::(3-Hydroxy-2-methylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(4-fluoro)-phenylbutanoyl}-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 13

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=AHIBTTMEPBWHGE-GCBQAYLCSA-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 = 4128   

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)	BDBM4128 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(4-fluo...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(6-5-7-22(15)33)24(35)30-20(12-16-8-10-18(29)11-9-16)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/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 7: 2063-72 (1999) Article DOI: 10.1016/s0968-0896(99)00127-3 BindingDB Entry DOI: 10.7270/Q23T9FD0
					More data for this Ligand-Target Pair