BDBM1944 BHAP deriv.::CHEMBL593::DELAVIRDINE MESYLATE::Delavirdine::N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide::Rescriptor::U-90152S

SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key InChIKey=WHBIGIKBNXZKFE-UHFFFAOYSA-N

Data  41 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 1944   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  260nMpH: 8.3 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.87E+4nMAssay Description:Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.10E+3nMpH: 8.3 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.10E+3nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.80E+4nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  8.32E+3nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.30nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  114nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Medivir

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  625nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay systemMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibitory activity of the compound was evaluated in vitro against HIV- I reverse transcriptase (RT)More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  5.00E+4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  170nMAssay Description:Inhibitory activity against HIV-1 reverse transcriptase (wild type)More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  6.66E+3nMAssay Description:Inhibitory activity against HIV-1 reverse transcriptase (P236L)More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.10E+3nMAssay Description:In vitro for inhibition of HIV-1 reverse transcriptase.More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  260nMAssay Description:Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  8.30E+3nMAssay Description:Inhibitory activity against Y181C mutant HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibitory activity against P236L mutant HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  260nMAssay Description:Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primerMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  8.32E+3nMAssay Description:Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of purified recombinant HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.50E+3nMAssay Description:Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assayMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  422nMAssay Description:The compound was evaluated for the inhibition of HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetChymotrypsinogen A(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  2.25E+5nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  9.00E+4nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  38nMAssay Description:Therapeutic concentration on reverse transcriptaseMore data for this Ligand-Target Pair
TargetMalate dehydrogenase, cytoplasmic(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  8.50E+4nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  21nMAssay Description:Inhibitory concentration against wild-type reverse transcriptase of HIV-1More data for this Ligand-Target Pair
TargetCruzipain(Trypanosoma cruzi)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  1.22E+5nMAssay 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
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
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
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Wuhan Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataEC50:  76nMAssay 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
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Wuhan Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataEC50: >2.30E+4nMAssay 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
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  657nMAssay Description:Inhibitory activity against wild-type HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  4.38E+3nMAssay Description:Inhibitory activity against E138K mutant reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  394nMAssay Description:Inhibitory activity against R172A mutant reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase protein(Human immunodeficiency virus 1)
Fudan University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of HIV RT K103N/Y181C mutant by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Wuhan Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  260nMAssay Description:Inhibition of wild type recombinant HIV1 reverse transcriptase using poly(rA)-oligo(dT) as template/primerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Wuhan Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  8.30E+3nMAssay Description:Inhibition of wild type recombinant HIV1 reverse transcriptase Y181C mutant using poly(rA)-oligo(dT) as template/primerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Wuhan Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of HIV1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Wuhan Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  36nMAssay Description:Inhibition of recombinant HIV1 non-nucleoside reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Affinity DataIC50:  422nMpH: 8.2 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair