BDBM50035098 1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-butyl}-1H-indole::CHEMBL62994

SMILES: Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12

InChI Key: InChIKey=NRZHEKZOMMPQDG-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50035098   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035098 (1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8| Show InChI InChI=1S/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50035098 (1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8| Show InChI InChI=1S/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor binding site using [3H]ketanserin .				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035098 (1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8| Show InChI InChI=1S/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor binding site using [3H]8-OH-DPAT .				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035098 (1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8| Show InChI InChI=1S/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol.				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50035098 (1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8| Show InChI InChI=1S/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
					More data for this Ligand-Target Pair