BDBM50069012 1-(4-Fluoro-phenyl)-8,9-dimethoxy-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole::CHEMBL174949

SMILES: COc1cc2CCNCC3CN(c(c23)c1OC)c1ccc(F)cc1

InChI Key: InChIKey=XYNLJBRCCYTMSL-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 = 50069012   

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...)	BDBM50069012 (1-(4-Fluoro-phenyl)-8,9-dimethoxy-2,2a,3,4,5,6-hex...) Show SMILES COc1cc2CCNCC3CN(c(c23)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN2O2/c1-23-16-9-12-7-8-21-10-13-11-22(15-5-3-14(20)4-6-15)18(17(12)13)19(16)24-2/h3-6,9,13,21H,7-8,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50069012 (1-(4-Fluoro-phenyl)-8,9-dimethoxy-2,2a,3,4,5,6-hex...) Show SMILES COc1cc2CCNCC3CN(c(c23)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN2O2/c1-23-16-9-12-7-8-21-10-13-11-22(15-5-3-14(20)4-6-15)18(17(12)13)19(16)24-2/h3-6,9,13,21H,7-8,10-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50069012 (1-(4-Fluoro-phenyl)-8,9-dimethoxy-2,2a,3,4,5,6-hex...) Show SMILES COc1cc2CCNCC3CN(c(c23)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN2O2/c1-23-16-9-12-7-8-21-10-13-11-22(15-5-3-14(20)4-6-15)18(17(12)13)19(16)24-2/h3-6,9,13,21H,7-8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	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)	BDBM50069012 (1-(4-Fluoro-phenyl)-8,9-dimethoxy-2,2a,3,4,5,6-hex...) Show SMILES COc1cc2CCNCC3CN(c(c23)c1OC)c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN2O2/c1-23-16-9-12-7-8-21-10-13-11-22(15-5-3-14(20)4-6-15)18(17(12)13)19(16)24-2/h3-6,9,13,21H,7-8,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	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