BDBM50200953 CHEMBL405393::cyclopentyl (2S,3S)-3-(4-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-5-((R)1-hydroxyethyl)-1H-1,2,3-triazol-1-yl)-1,4-diphenylbutan-2-ylcarbamate

SMILES: C[C@@H](O)c1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1

InChI Key: InChIKey=FJJMMLZBKOBRAP-ZILBYDESSA-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 = 50200953   

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)	BDBM50200953 (CHEMBL405393 | cyclopentyl (2S,3S)-3-(4-((4-(5-chl...) Show SMILES C[C@@H](O)c1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C38H47ClN6O3/c1-27-17-18-31(39)25-35(27)44-21-19-43(20-22-44)26-34-37(28(2)46)45(42-41-34)36(24-30-13-7-4-8-14-30)33(23-29-11-5-3-6-12-29)40-38(47)48-32-15-9-10-16-32/h3-8,11-14,17-18,25,28,32-33,36,46H,9-10,15-16,19-24,26H2,1-2H3,(H,40,47)/t28-,33+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
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