BDBM77092 CMX-157::CMX157::HDP-tenofovir::Tenofovir Exalidex::hexadecyloxypropyl 9-(2-(phosphonomethoxy)propyl)adenine

SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12

InChI Key InChIKey=SCTJKHUUZLXJIP-RUZDIDTESA-N

Data  8 IC50

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 8 hits for monomerid = 77092   

TargetGag-Pol polyprotein [588-1147,M628L,N654N,K657R,T802F,K807E](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 3.80nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 3.10nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 19nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 5.33E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin as a substrate incubated for 30 mins...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1147,M628L,T656S,M771V,L797W,T802Y](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 9nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1147,K652R,M771V](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 7.08E+4nMAssay Description:Inhibition of human recombinant CYP2D6 expressed in insect microsome using (3-[2-(N,N-dimethyl-N-methylammonium)-ethyl]-7-methoxy-4-methylcoumarin io...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1147,V662I,F664L,F703Y,Q738M,M771V](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77092(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
Affinity DataIC50: 5nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair