null

SMILES: COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(c3)-c3cc(C=O)ccc3O)c2c(Oc2cc3C(=O)N(C)CCc3cc2OC)c1O

InChI Key: InChIKey=ZOBAYWQPWZMJPP-NDEPHWFRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50292473   

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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292473 (CHEMBL450155 | CHEMBL506299 | Secantioquine) Show SMILES COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(c3)-c3cc(C=O)ccc3O)c2c(Oc2cc3C(=O)N(C)CCc3cc2OC)c1O |r| Show InChI InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50292473 (CHEMBL450155 | CHEMBL506299 | Secantioquine) Show SMILES COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(c3)-c3cc(C=O)ccc3O)c2c(Oc2cc3C(=O)N(C)CCc3cc2OC)c1O |r| Show InChI InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting				J Nat Prod 55: 1281-1286 (1992) Article DOI: 10.1021/np50087a016 BindingDB Entry DOI: 10.7270/Q2WM1DF2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50292473 (CHEMBL450155 | CHEMBL506299 | Secantioquine) Show SMILES COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(c3)-c3cc(C=O)ccc3O)c2c(Oc2cc3C(=O)N(C)CCc3cc2OC)c1O |r| Show InChI InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane by liquid scintillation counting				J Nat Prod 55: 1281-1286 (1992) Article DOI: 10.1021/np50087a016 BindingDB Entry DOI: 10.7270/Q2WM1DF2
					More data for this Ligand-Target Pair