new BindingDB logo
myBDB logout

BDBM50184759 (2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hydroxy-5-(2-oxotetradecylidene)-2-phenylpyrrolidine-3-carboxylate::CHEMBL437310

SMILES: CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC

InChI Key: InChIKey=AUMYBBQQNISSFF-IMKBVMFZSA-N

Data: 3 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 3 hits for monomerid = 50184759   
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
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50184759
PNG
((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13|
Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens (Human))
BDBM50184759
PNG
((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13|
Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184759
PNG
((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13|
Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair