BDBM50183625 CHEMBL381588::{(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[4-(benzo[b]thiophene-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester

SMILES: COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1cc2ccccc2s1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C

InChI Key: InChIKey=VIUJZKZUUIUVRK-NIRLNJMDSA-N

Data: 1 KI

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 = 50183625   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50183625 (CHEMBL381588 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1cc2ccccc2s1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C42H46N4O6S/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(25-28-18-20-29(21-19-28)35-23-31-15-9-11-17-34(31)53-35)26-42(51,24-27-12-6-5-7-13-27)39(49)43-36-32-16-10-8-14-30(32)22-33(36)47/h5-21,23,33,36-37,47,51H,22,24-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t33-,36+,37-,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 1828-32 (2006) Article DOI: 10.1021/jm051239z BindingDB Entry DOI: 10.7270/Q2PC3357
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