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BDBM50102264 CHEMBL322698::Pyrazine-2-carboxylic acid N'-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazide

SMILES: O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1

InChI Key: InChIKey=MJLHALWWIZZOGJ-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50102264   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102264
PNG
(CHEMBL322698 | Pyrazine-2-carboxylic acid N'-pyrro...)
Show SMILES O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1
Show InChI InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
190n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102264
PNG
(CHEMBL322698 | Pyrazine-2-carboxylic acid N'-pyrro...)
Show SMILES O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1
Show InChI InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
300n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102264
PNG
(CHEMBL322698 | Pyrazine-2-carboxylic acid N'-pyrro...)
Show SMILES O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1
Show InChI InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
800n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102264
PNG
(CHEMBL322698 | Pyrazine-2-carboxylic acid N'-pyrro...)
Show SMILES O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1
Show InChI InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102264
PNG
(CHEMBL322698 | Pyrazine-2-carboxylic acid N'-pyrro...)
Show SMILES O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1
Show InChI InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair