BDBM4144 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2,5-dimethylphenyl)formamido]-4-phenylbutanoyl]pyrrolidine-2-carboxamide::(3 -Hydroxy- 2,5 -dimethylbenzoyl) - (2(S) -hydroxy-3(S)-amino-4-phenylbutanoyl)-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 29::CHEMBL113665

SMILES: Cc1cc(O)c(C)c(c1)C(=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=FAEDRMSLDDNVCR-CHLMOITFSA-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 = 4144   

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)	BDBM4144 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...) Show SMILES Cc1cc(O)c(C)c(c1)C(=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/c1-16-11-20(17(2)23(33)12-16)25(35)30-21(13-18-9-7-6-8-10-18)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	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)	BDBM4144 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...) Show SMILES Cc1cc(O)c(C)c(c1)C(=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/c1-16-11-20(17(2)23(33)12-16)25(35)30-21(13-18-9-7-6-8-10-18)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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