null

SMILES: COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1

InChI Key: InChIKey=IBBZFQYJQGDOGF-SJKOYZFVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50077631   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50077631 ((6aR,12bS)-3-Methoxy-5,6,6a,7,8,12b-hexahydro-4,6-...) Show SMILES COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1 Show InChI InChI=1S/C17H18N2O3/c1-22-16-5-3-10-13(19-16)8-18-12-4-2-9-6-14(20)15(21)7-11(9)17(10)12/h3,5-7,12,17-18,20-21H,2,4,8H2,1H3/t12-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Potency in adenylate cyclase functional assay against Dopamine receptor D1				Bioorg Med Chem Lett 9: 1341-6 (1999) BindingDB Entry DOI: 10.7270/Q2S75FH5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50077631 ((6aR,12bS)-3-Methoxy-5,6,6a,7,8,12b-hexahydro-4,6-...) Show SMILES COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1 Show InChI InChI=1S/C17H18N2O3/c1-22-16-5-3-10-13(19-16)8-18-12-4-2-9-6-14(20)15(21)7-11(9)17(10)12/h3,5-7,12,17-18,20-21H,2,4,8H2,1H3/t12-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human Dopamine receptor D2 by using radioligand [3H]-spiperone in LTK cells				Bioorg Med Chem Lett 9: 1341-6 (1999) BindingDB Entry DOI: 10.7270/Q2S75FH5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50077631 ((6aR,12bS)-3-Methoxy-5,6,6a,7,8,12b-hexahydro-4,6-...) Show SMILES COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1 Show InChI InChI=1S/C17H18N2O3/c1-22-16-5-3-10-13(19-16)8-18-12-4-2-9-6-14(20)15(21)7-11(9)17(10)12/h3,5-7,12,17-18,20-21H,2,4,8H2,1H3/t12-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Potency in adenylate cyclase functional assay against Dopamine receptor D1				Bioorg Med Chem Lett 9: 1341-6 (1999) BindingDB Entry DOI: 10.7270/Q2S75FH5
					More data for this Ligand-Target Pair