BDBM4165 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-fluoro-3-hydroxy-2-methylphenyl)formamido]-2-hydroxy-4-(naphthalen-2-yl)butanoyl]pyrrolidine-2-carboxamide::(5-Fluoro-3-hydroxy-2-methylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(beta-naphtyl)-butanoyl}-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 50::CHEMBL422786

SMILES: Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=MNWILWJJVXKUDZ-DJESZUOASA-N

Data: 2 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 = 4165   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM4165 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...) Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C31H35ClFN3O5/c1-17-23(14-22(33)15-26(17)37)28(39)34-24(12-18-9-10-19-7-5-6-8-20(19)11-18)27(38)30(41)36-16-21(32)13-25(36)29(40)35-31(2,3)4/h5-11,14-15,21,24-25,27,37-38H,12-13,16H2,1-4H3,(H,34,39)(H,35,40)/t21-,24-,25-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 333-43 (2002) BindingDB Entry DOI: 10.7270/Q20K27VB
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM4165 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...) Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C31H35ClFN3O5/c1-17-23(14-22(33)15-26(17)37)28(39)34-24(12-18-9-10-19-7-5-6-8-20(19)11-18)27(38)30(41)36-16-21(32)13-25(36)29(40)35-31(2,3)4/h5-11,14-15,21,24-25,27,37-38H,12-13,16H2,1-4H3,(H,34,39)(H,35,40)/t21-,24-,25-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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