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BDBM50102267 1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,2-a]quinoxalin-4-yloxy)-ethyl]-thiourea::CHEMBL105976

SMILES: Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21

InChI Key: InChIKey=RFZUCSKCTHWLOF-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 = 50102267   
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)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
PubMed
53n/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 protease


(Human immunodeficiency virus type 1)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
70n/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)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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90n/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 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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100n/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)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
120n/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)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
120n/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)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
210n/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