BDBM4162 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2,4-dimethylphenyl)formamido]-4-(naphthalen-2-yl)butanoyl]pyrrolidine-2-carboxamide::(3-Hydroxy-2,4-dimethylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(beta-naphtyl)-butanoyl}-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 47::CHEMBL117271

SMILES: Cc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O

InChI Key: InChIKey=FVEKNJZTIIDQIG-XCDZTUSXSA-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 = 4162   

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)	BDBM4162 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...) Show SMILES Cc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r| Show InChI InChI=1S/C32H38ClN3O5/c1-18-10-13-24(19(2)27(18)37)29(39)34-25(15-20-11-12-21-8-6-7-9-22(21)14-20)28(38)31(41)36-17-23(33)16-26(36)30(40)35-32(3,4)5/h6-14,23,25-26,28,37-38H,15-17H2,1-5H3,(H,34,39)(H,35,40)/t23-,25-,26-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	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)	BDBM4162 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...) Show SMILES Cc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r| Show InChI InChI=1S/C32H38ClN3O5/c1-18-10-13-24(19(2)27(18)37)29(39)34-25(15-20-11-12-21-8-6-7-9-22(21)14-20)28(38)31(41)36-17-23(33)16-26(36)30(40)35-32(3,4)5/h6-14,23,25-26,28,37-38H,15-17H2,1-5H3,(H,34,39)(H,35,40)/t23-,25-,26-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	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