BDBM50103642 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile::4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile::4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE::4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile::CHEMBL308954::ETRAVIRINE::Etravirine (ETR)::Etravirine (ETV)::Etravirine (TMC125)::TMC 125::TMC-125

SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N

InChI Key InChIKey=PYGWGZALEOIKDF-UHFFFAOYSA-N

Data  103 IC50  22 EC50  1 ITC

PDB links: 4 PDB IDs match this monomer.

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 125 hits for monomerid = 50103642   

TargetReverse transcriptase protein(Human immunodeficiency virus type 1 group M subtyp...)
Shandong University

LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 89nMAssay Description:The HIV-1 RTwt inhibition assay was implemented using the template/primer hybrid poly(A)9oligo(dT)15, digoxigenin- and biotin-labeled nucleotides, an...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Shandong University

LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 370nMT: 2°CAssay Description:A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...More data for this Ligand-Target Pair
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
University Hospital Heidelberg

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 8.5nMAssay Description:Inhibition of MRP1 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assaysMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 10nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activityMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 20nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activityMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 164nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase Y181I/Y181C mutant assessed as reduction in enzyme activityMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 12nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activityMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 10nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase V106A mutant assessed as reduction in enzyme activityMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 164nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase Y181I mutant assessed as reduction in enzyme activityMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 89nMAssay Description:Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA after 1 hr using poly(A) x oligo(dT)15 t...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 130nMAssay Description:Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly(A) x oligo(dT)15 as template/...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 3.98E+5nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 5.01E+5nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily D member 3(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 3.16E+6nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 1.26E+6nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 1.58E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 3.98E+6nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 2.51E+4nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)-oligo(dT) as template/primer and digoxigen...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of wild type HIV1 Reverse transcriptase assessed as reduction of biotin deoxyuridine triphosphate incorporation into the wild type HIV1 re...More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University Hospital Heidelberg

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 7.60nMAssay Description:Inhibition of MDR1 expressed in MDCK2 cells assessed as inhibition of cell proliferation by calcein and pheophorbide A efflux assaysMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
University Hospital Heidelberg

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of MRP2 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assaysMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Hospital Heidelberg

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 6nMAssay Description:Inhibition of BCRP expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assaysMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
University Hospital Heidelberg

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of MRP3 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assaysMore data for this Ligand-Target Pair
TargetCruzipain(Trypanosoma cruzi)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100More data for this Ligand-Target Pair
TargetCruzipain(Trypanosoma cruzi)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of wild type HIV-1 reverse transcriptase using poly (rC)/oligo (dG) as template/primer assessed as inhibition of biotin-dUTP incorporation...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 750nMAssay Description:Inhibition of wild-type HIV1 reverse transcriptase assessed as decrease in digoxigenin and biotin-dUTP incorporation in to DNA using poly(A)/oligo(dT...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 1.00E+3nMAssay Description:The compound was tested for inhibition of rabbit plasma renin.More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 20nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant using poly (A)/oligo (dT)15 as template/primer assessed as decrease in biotin-dUTP...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 assessed as reduction in biotin-dUTP incorporation incubated for 40 mins using...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataEC50:  17nMAssay Description:Inhibition of HIV-1 reverse transcriptase E138K mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect mea...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataEC50:  46nMAssay Description:Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cy...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 10nMAssay Description:Inhibition of HIV1 NL4-3 reverse transcriptase His-tagged p66/p51 associated RNA dependent DNA polymerase activity expressed in Escherichia coli asse...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 11nMAssay Description:Inhibition of wild-type HIV1 Reverse transcriptase p66/p51 assessed as relative fluorescence signal after 40 minsMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 83nMAssay Description:Inhibition of recombinant HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation in to poly [A] x oligo[dT]15 by ELISAMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 16nMAssay Description:Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant wild-type HIV1 GST-fused reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli ...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of HIV1 reverse transcriptase L100I mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 19nMAssay Description:Inhibition of HIV1 reverse transcriptase L100I/K103N double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathi...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 7nMAssay Description:Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N/Y188C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathi...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assayMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of HIV1 reverse transcriptase Y188L mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...More data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataEC50:  3nMAssay Description:Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect meas...More data for this Ligand-Target Pair
TargetReverse transcriptase protein(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 20nMAssay Description:Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation countingMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 10nMAssay Description:Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation countingMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 10nMAssay Description:Inhibition of HIV1 wild-type reverse transcriptase V106A mutant using [3H]dTTP by scintillation countingMore data for this Ligand-Target Pair
TargetReverse transcriptase protein(Human immunodeficiency virus 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
Affinity DataIC50: 12nMAssay Description:Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation countingMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 125 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50103642   

CellReverse transcriptase (HIV-1 RT)(1-350)(Human immunodeficiency virus type 1)
Chulalongkorn University

SyringePNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
ITC DataΔG°: -36.8kcal/mole −TΔS°: 23.0kcal/mole ΔH°: -59.7kcal/mole
T: 25.00°C