BDBM50069015 1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydro-1H-azepino[3,4,5-cd]indole-8,9-diol::CHEMBL367981

SMILES: CN1CCc2cc(O)c(O)c3N(CC(C1)c23)c1ccc(F)cc1

InChI Key: InChIKey=QGDRDWYAKNWQPW-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 = 50069015   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50069015 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) Show SMILES CN1CCc2cc(O)c(O)c3N(CC(C1)c23)c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c1-20-7-6-11-8-15(22)18(23)17-16(11)12(9-20)10-21(17)14-4-2-13(19)3-5-14/h2-5,8,12,22-23H,6-7,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	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(1A) dopamine receptor (RAT)	BDBM50069015 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) Show SMILES CN1CCc2cc(O)c(O)c3N(CC(C1)c23)c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c1-20-7-6-11-8-15(22)18(23)17-16(11)12(9-20)10-21(17)14-4-2-13(19)3-5-14/h2-5,8,12,22-23H,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50069015 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) Show SMILES CN1CCc2cc(O)c(O)c3N(CC(C1)c23)c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c1-20-7-6-11-8-15(22)18(23)17-16(11)12(9-20)10-21(17)14-4-2-13(19)3-5-14/h2-5,8,12,22-23H,6-7,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50069015 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) Show SMILES CN1CCc2cc(O)c(O)c3N(CC(C1)c23)c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c1-20-7-6-11-8-15(22)18(23)17-16(11)12(9-20)10-21(17)14-4-2-13(19)3-5-14/h2-5,8,12,22-23H,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	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