BDBM50206577 10-methoxyibogamine::CHEMBL222287::IBOGAINE

SMILES: CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12

InChI Key: InChIKey=HSIBGVUMFOSJPD-NXWOVTFFSA-N

Data: 2 KI  9 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 11 hits for monomerid = 50206577   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG 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
University of Minnesota Curated by ChEMBL					Assay Description relative affinity against Dopamine receptor D2 in striatum using [3H]YM-09151-2 as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG 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
University of Minnesota Curated by ChEMBL					Assay Description Relative affinity for Dopamine receptor D1 in striatum using [3H]SCH-23390				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Relative affinity against Opioid receptor mu 1 in thalamus using [3H]DAMGO as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description relative affinity against serotonin transporter using RTI-55 as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG 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
University of Minnesota Curated by ChEMBL					Assay Description relative affinity against Dopamine receptor D3 in ventral striatum using [3H](+)-7-OH-DPAT as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [125I]beta-CIT from rat SERT expressed in HeLa cells				J Biol Chem 282: 29441-7 (2007) Article DOI: 10.1074/jbc.M704456200 BindingDB Entry DOI: 10.7270/Q2125SG9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at rat SERT expressed in HeLa cells				J Biol Chem 282: 29441-7 (2007) Article DOI: 10.1074/jbc.M704456200 BindingDB Entry DOI: 10.7270/Q2125SG9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description relative affinity against dopamine transporter using WIN-35428 as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair