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BDBM50075205 CHEMBL3414869

SMILES: COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1

InChI Key: InChIKey=WFHYZGGDTNGHJG-UHFFFAOYSA-N

Data: 13 IC50

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 13 hits for monomerid = 50075205   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end direc...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 min...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase pre-incubated for 10 mins before DNA substrate addition


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by li...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1 RNA/D...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end directed cl...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by l...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075205
PNG
(CHEMBL3414869)
Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair