BDBM50183638 CHEMBL410469::{(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-(3-phenylethynyl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester

SMILES: COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C

InChI Key: InChIKey=XHJMPUZUZVEPNJ-PAMYEKIESA-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 = 50183638   

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)	BDBM50183638 (CHEMBL410469 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C42H46N4O6/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(27-32-19-13-18-30(24-32)23-22-29-14-7-5-8-15-29)28-42(51,26-31-16-9-6-10-17-31)39(49)43-36-34-21-12-11-20-33(34)25-35(36)47/h5-21,24,35-37,47,51H,25-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t35-,36+,37-,42+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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
					More data for this Ligand-Target Pair