BDBM4140 (2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]butanoyl]-N-tert-butyl-4-chloropyrrolidine-2-carboxamide::(3-Hydroxy-2-methylbenzoyl)-2(S)-hydroxy-3(S)-amino-4-(benzo[b]thiophene-5-yl)-butanoyl}-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 25

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=HFMPQLXIHBRKCH-RHQSAMMMSA-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 = 4140   

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)	BDBM4140 ((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-2-hydr...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H34ClN3O5S/c1-16-20(6-5-7-23(16)34)26(36)31-21(13-17-8-9-24-18(12-17)10-11-39-24)25(35)28(38)33-15-19(30)14-22(33)27(37)32-29(2,3)4/h5-12,19,21-22,25,34-35H,13-15H2,1-4H3,(H,31,36)(H,32,37)/t19-,21-,22-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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