BDBM50200954 CHEMBL386849::cyclopentyl (2S,3S)-3-[4-([4-(2,5-Dimethylphenyl)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(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1

InChI Key: InChIKey=NKUFPCIQTCZRMY-OBQHMVRDSA-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 = 50200954   

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)	BDBM50200954 (CHEMBL386849 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-D...) Show SMILES C[C@@H](O)c1c(CN2CCN(CC2)c2cc(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C39H50N6O3/c1-28-18-19-29(2)36(24-28)44-22-20-43(21-23-44)27-35-38(30(3)46)45(42-41-35)37(26-32-14-8-5-9-15-32)34(25-31-12-6-4-7-13-31)40-39(47)48-33-16-10-11-17-33/h4-9,12-15,18-19,24,30,33-34,37,46H,10-11,16-17,20-23,25-27H2,1-3H3,(H,40,47)/t30-,34+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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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