Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.3 BDBM50291683Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor				Bioorg Med Chem Lett 7: 1207-1212 (1997) Article DOI: 10.1016/S0960-894X(97)00194-7 BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor				Bioorg Med Chem Lett 7: 1207-1212 (1997) Article DOI: 10.1016/S0960-894X(97)00194-7 BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113929 BindingDB Entry DOI: 10.7270/Q2DZ0DBF
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair