BDBM50200951 CHEMBL267645::cyclopentyl (2S,3S)-3-[4-([4-(2,5-dimethylphenyl)piperazin-1-yl]methyl)-5-[(S)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl]-1,4-diphenylbutan-2-ylcarbamate

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

InChI Key: InChIKey=KXMNWSIMAXNPPJ-XHFCRVKJSA-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 = 50200951   

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)	BDBM50200951 (CHEMBL267645 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES CC[C@H](O)c1c(CN2CCN(CC2)c2cc(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C40H52N6O3/c1-4-38(47)39-35(28-44-21-23-45(24-22-44)36-25-29(2)19-20-30(36)3)42-43-46(39)37(27-32-15-9-6-10-16-32)34(26-31-13-7-5-8-14-31)41-40(48)49-33-17-11-12-18-33/h5-10,13-16,19-20,25,33-34,37-38,47H,4,11-12,17-18,21-24,26-28H2,1-3H3,(H,41,48)/t34-,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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
					More data for this Ligand-Target Pair