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BDBM50075220 CHEMBL3414872

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

InChI Key: InChIKey=ZQLRXYMHSMKQGV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50075220   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50075220
PNG
(CHEMBL3414872)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18N2O4/c24-22(27)18-8-6-17(7-9-18)16-4-1-14(2-5-16)11-15-3-10-20-19(12-15)13-21(26)25(29)23(20)28/h1-10,12,29H,11,13H2,(H2,24,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+3n/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)
BDBM50075220
PNG
(CHEMBL3414872)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18N2O4/c24-22(27)18-8-6-17(7-9-18)16-4-1-14(2-5-16)11-15-3-10-20-19(12-15)13-21(26)25(29)23(20)28/h1-10,12,29H,11,13H2,(H2,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075220
PNG
(CHEMBL3414872)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18N2O4/c24-22(27)18-8-6-17(7-9-18)16-4-1-14(2-5-16)11-15-3-10-20-19(12-15)13-21(26)25(29)23(20)28/h1-10,12,29H,11,13H2,(H2,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075220
PNG
(CHEMBL3414872)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18N2O4/c24-22(27)18-8-6-17(7-9-18)16-4-1-14(2-5-16)11-15-3-10-20-19(12-15)13-21(26)25(29)23(20)28/h1-10,12,29H,11,13H2,(H2,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075220
PNG
(CHEMBL3414872)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18N2O4/c24-22(27)18-8-6-17(7-9-18)16-4-1-14(2-5-16)11-15-3-10-20-19(12-15)13-21(26)25(29)23(20)28/h1-10,12,29H,11,13H2,(H2,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075220
PNG
(CHEMBL3414872)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18N2O4/c24-22(27)18-8-6-17(7-9-18)16-4-1-14(2-5-16)11-15-3-10-20-19(12-15)13-21(26)25(29)23(20)28/h1-10,12,29H,11,13H2,(H2,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+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