BDBM854 C2-Symmetric inhibitor 12::CHEMBL127045::N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis{4-[(E)-2-methoxycarbonylethenyl]-benzyloxy}-3,4-dihydroxyhexanediamide

SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(\C=C\C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(\C=C\C(=O)OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key InChIKey=BIPBOTWHSNMRCV-ZKKZGDMFSA-N

Data  2 KI  1 Kd  1 Koff  1 Kon

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 854   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM854(C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...)
Affinity DataKi:  0.0900nM ΔG°:  -13.9kcal/molepH: 5.0 T: 2°CAssay Description:Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM854(C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...)
Affinity DataKi:  0.0900nM Kd:  1.95nM Koff:  2.04E+5s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM854(C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...)
Affinity DataKon:  0.000365M-1s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed