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BDBM50396097 CHEMBL2170856

SMILES: Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O

InChI Key: InChIKey=MIQUEZGHEJGPJB-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 = 50396097   
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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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Article
PubMed
n/an/a 670n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human U937 cells by telomeric repeat amplification protocol


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction follo...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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PubMed
n/an/a 230n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of telomerase activity in human MDA-MB-435 cell lysate measured after 24 hrs by TRAP assay


Eur J Med Chem 125: 117-129 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X5V
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
PDB

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Article
PubMed
n/an/a 670n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human telomerase isolated from human U937 cellular extracts by SYBR Green staining-based TRAP assay


J Med Chem 57: 521-38 (2014)


Article DOI: 10.1021/jm400528t
BindingDB Entry DOI: 10.7270/Q2T43VKJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
PDB

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CHEMBL
MCE
PC cid
PC sid
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PubMed
n/an/a 230n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of telomerase activity in human U2OS cell lysate measured after 24 hrs by TRAP assay


Eur J Med Chem 125: 117-129 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X5V
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50396097
PNG
(CHEMBL2170856)
Show SMILES Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
Show InChI InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
PDB

NCI pathway
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UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by te...


J Med Chem 55: 3678-86 (2012)


Article DOI: 10.1021/jm201191d
BindingDB Entry DOI: 10.7270/Q2DF6SB3
More data for this
Ligand-Target Pair