BDBM4258 (2-Hydroxy-3-methoxy)benzoyl- (2S,3S) -AHPBA-4(S)-Cl-Pro-NH-t-Bu::(2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(2-hydroxy-3-methoxyphenyl)formamido]-4-phenylbutanoyl]pyrrolidine-2-carboxamide::AHPBA 27::CHEMBL113810

SMILES: COc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1O

InChI Key: InChIKey=QCUVBKBFHLESBR-UDSSINMLSA-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 = 4258   

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)	BDBM4258 ((2-Hydroxy-3-methoxy)benzoyl- (2S,3S) -AHPBA-4(S)-...) Show SMILES COc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1O |r| Show InChI InChI=1S/C27H34ClN3O6/c1-27(2,3)30-25(35)20-14-17(28)15-31(20)26(36)23(33)19(13-16-9-6-5-7-10-16)29-24(34)18-11-8-12-21(37-4)22(18)32/h5-12,17,19-20,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t17-,19-,20-,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	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)	BDBM4258 ((2-Hydroxy-3-methoxy)benzoyl- (2S,3S) -AHPBA-4(S)-...) Show SMILES COc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1O |r| Show InChI InChI=1S/C27H34ClN3O6/c1-27(2,3)30-25(35)20-14-17(28)15-31(20)26(36)23(33)19(13-16-9-6-5-7-10-16)29-24(34)18-11-8-12-21(37-4)22(18)32/h5-12,17,19-20,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t17-,19-,20-,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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