BDBM50153113 CHEMBL364611::[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy]-acetic acid

SMILES: CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C

InChI Key: InChIKey=VYJUQLZGTWSUBI-PHWTYJQASA-N

Data: 2 KI  2 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 4 hits for monomerid = 50153113   

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
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50153113 (CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13| Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50153113 (CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13| Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibition constant against DNA polymerase alpha competitively on DNA template				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50153113 (CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13| Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
					More data for this Ligand-Target Pair
DNA polymerase beta (Rattus norvegicus)	BDBM50153113 (CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13| Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
					More data for this Ligand-Target Pair