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BDBM50102274 1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrolo[1,2-a]quinoxalin-4-yloxy)-ethyl]-thiourea::CHEMBL317406

SMILES: Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C

InChI Key: InChIKey=KFMGHZLWRUNPSU-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50102274   
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)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
150n/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)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
220n/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)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
PubMed
450n/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 K103N


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)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
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500n/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)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
660n/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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
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 V179D


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)
BDBM50102274
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...)
Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C
Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.50E+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 Y188L


J Med Chem 44: 305-15 (2001)


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