BDBM50184761 (3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(phenethylcarbamoyl)-3a,4,7,7a-tetrahydro-1H-indene-2,4-dicarboxylate::CHEMBL207651

SMILES: CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1

InChI Key: InChIKey=VVCJRTMMELXQLE-KTXPOFAQSA-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 = 50184761   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Terminal deoxynucleotidyltransferase (Homo sapiens (Human))	BDBM50184761 ((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48| Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/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 (alpha/delta/epsilon) (Homo sapiens (Human))	BDBM50184761 ((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48| Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/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
DNA polymerase beta (Homo sapiens (Human))	BDBM50184761 ((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48| Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/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