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SMILES: CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)CCCc1ccccc1)c1ccc2OCOc2c1

InChI Key: InChIKey=BBKMWPNTKXXMIG-QHCPKHFHSA-N

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 2 hits for monomerid = 279200   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM279200
PNG
(US10035760, Example 25)
Show SMILES CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)CCCc1ccccc1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H29N3O6S/c1-30(22-14-15-24-25(18-22)36-19-35-24)26(31)23(17-21-11-6-3-7-12-21)28-27(32)29-37(33,34)16-8-13-20-9-4-2-5-10-20/h2-7,9-12,14-15,18,23H,8,13,16-17,19H2,1H3,(H2,28,29,32)/t23-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 930n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
HIV cell culture assay¿MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagen...


US Patent US10035760 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RBW
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM279200
PNG
(US10035760, Example 25)
Show SMILES CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)CCCc1ccccc1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H29N3O6S/c1-30(22-14-15-24-25(18-22)36-19-35-24)26(31)23(17-21-11-6-3-7-12-21)28-27(32)29-37(33,34)16-8-13-20-9-4-2-5-10-20/h2-7,9-12,14-15,18,23H,8,13,16-17,19H2,1H3,(H2,28,29,32)/t23-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
HIV cell culture assay¿MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagen...


US Patent US10035760 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RBW
More data for this
Ligand-Target Pair