BDBM4136 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxamide::(3-Hydroxy-2-methylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(3-trifluoromethyl)-phenylbutanoyl}-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 21

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=PJPBQAXUUJITSM-ROQCDXFCSA-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 = 4136   

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)	BDBM4136 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H33ClF3N3O5/c1-15-19(9-6-10-22(15)36)24(38)33-20(12-16-7-5-8-17(11-16)28(30,31)32)23(37)26(40)35-14-18(29)13-21(35)25(39)34-27(2,3)4/h5-11,18,20-21,23,36-37H,12-14H2,1-4H3,(H,33,38)(H,34,39)/t18-,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	0.5	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