BDBM50200949 CHEMBL262738::cyclopentyl (2S,3S)-3-[4-([4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl)-1H-1,2,3-triazol-1-yl]-1,4-diphenylbutan-2-ylcarbamate

SMILES: Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)OC2CCCC2)CC1

InChI Key: InChIKey=CLLDFXDWUITORQ-LRHLLKFHSA-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 = 50200949   

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)	BDBM50200949 (CHEMBL262738 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)OC2CCCC2)CC1 |r| Show InChI InChI=1S/C36H43ClN6O2/c1-27-16-17-30(37)24-34(27)42-20-18-41(19-21-42)25-31-26-43(40-39-31)35(23-29-12-6-3-7-13-29)33(22-28-10-4-2-5-11-28)38-36(44)45-32-14-8-9-15-32/h2-7,10-13,16-17,24,26,32-33,35H,8-9,14-15,18-23,25H2,1H3,(H,38,44)/t33-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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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