BDBM50115640 (-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,e]cycloheptene::CHEMBL113238

SMILES: COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12

InChI Key: InChIKey=GZXNMNCAWGIAAW-KRWDZBQOSA-N

Data: 8 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 10 hits for monomerid = 50115640   

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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at 5-hydroxytryptamine 2C receptor was determined using [3H]-mesulergine				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at 5-hydroxytryptamine 2A receptor was determined using [3H]-ketanserin				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Dopamine receptor D2 determined using [3H]-spiperone				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Dopamine receptor D4 determined using [3H]-YM-09151-2				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at 5-hydroxytryptamine 1D receptor was determined using [3H]-5-CT				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Dopamine receptor D3 determined using [3H]-spiperone				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the 5-hydroxytryptamine 1A receptor determined using [3H]-5-CT				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at 5-hydroxytryptamine 3 receptor was determined using [3H]-LY-278,584				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the 5-HT reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Norepinephrin transpoter reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair