BDBM77145 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine::PMPA prodrug::Tenofovir::Tenofovir disoproxil

SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C

InChI Key InChIKey=JFVZFKDSXNQEJW-CQSZACIVSA-N

Data  10 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 10 hits for monomerid = 77145   

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

US Patent
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 6.52E+3nMAssay 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
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 5.39E+3nMAssay 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
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 8.51E+3nMAssay 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,V662I,F664L,F703Y,Q738M,M771V](Human immunodeficiency virus type 1 group M subtyp...)
Chimerix, Inc.

US Patent
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 6.49E+3nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...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
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 1.04E+3nMAssay 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
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...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
LigandPNGBDBM77145(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
Affinity DataIC50: 6.47E+3nMAssay 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