BDBM50069019 7-Chloro-1-(4-fluoro-phenyl)-8,9-dimethoxy-4-methyl-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole::CHEMBL176356

SMILES: COc1c2N(CC3CN(C)CCc(c23)c(Cl)c1OC)c1ccc(F)cc1

InChI Key: InChIKey=ZLEMKTFXPSIGOM-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50069019   

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 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50069019 (7-Chloro-1-(4-fluoro-phenyl)-8,9-dimethoxy-4-methy...) Show SMILES COc1c2N(CC3CN(C)CCc(c23)c(Cl)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C20H22ClFN2O2/c1-23-9-8-15-16-12(10-23)11-24(14-6-4-13(22)5-7-14)18(16)20(26-3)19(25-2)17(15)21/h4-7,12H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50069019 (7-Chloro-1-(4-fluoro-phenyl)-8,9-dimethoxy-4-methy...) Show SMILES COc1c2N(CC3CN(C)CCc(c23)c(Cl)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C20H22ClFN2O2/c1-23-9-8-15-16-12(10-23)11-24(14-6-4-13(22)5-7-14)18(16)20(26-3)19(25-2)17(15)21/h4-7,12H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Dopamine receptor D2				Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50069019 (7-Chloro-1-(4-fluoro-phenyl)-8,9-dimethoxy-4-methy...) Show SMILES COc1c2N(CC3CN(C)CCc(c23)c(Cl)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C20H22ClFN2O2/c1-23-9-8-15-16-12(10-23)11-24(14-6-4-13(22)5-7-14)18(16)20(26-3)19(25-2)17(15)21/h4-7,12H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for Dopamine receptor D1				Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50069019 (7-Chloro-1-(4-fluoro-phenyl)-8,9-dimethoxy-4-methy...) Show SMILES COc1c2N(CC3CN(C)CCc(c23)c(Cl)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C20H22ClFN2O2/c1-23-9-8-15-16-12(10-23)11-24(14-6-4-13(22)5-7-14)18(16)20(26-3)19(25-2)17(15)21/h4-7,12H,8-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for alpha-1 adrenergic receptor				Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z
					More data for this Ligand-Target Pair