BDBM50069021 1-(4-Fluoro-phenyl)-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole::CHEMBL176990

SMILES: Fc1ccc(cc1)N1CC2CNCCc3cccc1c23

InChI Key: InChIKey=JPDOPMUPXBQWBY-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 = 50069021   

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...)	BDBM50069021 (1-(4-Fluoro-phenyl)-2,2a,3,4,5,6-hexahydro-1H-azep...) Show SMILES Fc1ccc(cc1)N1CC2CNCCc3cccc1c23 Show InChI InChI=1S/C17H17FN2/c18-14-4-6-15(7-5-14)20-11-13-10-19-9-8-12-2-1-3-16(20)17(12)13/h1-7,13,19H,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	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(1A) dopamine receptor (RAT)	BDBM50069021 (1-(4-Fluoro-phenyl)-2,2a,3,4,5,6-hexahydro-1H-azep...) Show SMILES Fc1ccc(cc1)N1CC2CNCCc3cccc1c23 Show InChI InChI=1S/C17H17FN2/c18-14-4-6-15(7-5-14)20-11-13-10-19-9-8-12-2-1-3-16(20)17(12)13/h1-7,13,19H,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.20	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))	BDBM50069021 (1-(4-Fluoro-phenyl)-2,2a,3,4,5,6-hexahydro-1H-azep...) Show SMILES Fc1ccc(cc1)N1CC2CNCCc3cccc1c23 Show InChI InChI=1S/C17H17FN2/c18-14-4-6-15(7-5-14)20-11-13-10-19-9-8-12-2-1-3-16(20)17(12)13/h1-7,13,19H,8-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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))	BDBM50069021 (1-(4-Fluoro-phenyl)-2,2a,3,4,5,6-hexahydro-1H-azep...) Show SMILES Fc1ccc(cc1)N1CC2CNCCc3cccc1c23 Show InChI InChI=1S/C17H17FN2/c18-14-4-6-15(7-5-14)20-11-13-10-19-9-8-12-2-1-3-16(20)17(12)13/h1-7,13,19H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	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