BDBM50133175 CHEMBL3634825

SMILES: CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1

InChI Key: InChIKey=TVMSDNWCQAGRCR-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50133175   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50133175 (CHEMBL3634825) Show SMILES CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C30H30FN3O3/c1-20(30-32-26-5-2-3-6-27(26)36-30)21-7-10-24(11-8-21)35-18-4-15-34-16-13-22(14-17-34)29-25-12-9-23(31)19-28(25)37-33-29/h2-3,5-12,19-20,22H,4,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 25: 5299-305 (2015) BindingDB Entry DOI: 10.7270/Q26W9CW2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133175 (CHEMBL3634825) Show SMILES CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C30H30FN3O3/c1-20(30-32-26-5-2-3-6-27(26)36-30)21-7-10-24(11-8-21)35-18-4-15-34-16-13-22(14-17-34)29-25-12-9-23(31)19-28(25)37-33-29/h2-3,5-12,19-20,22H,4,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 25: 5299-305 (2015) BindingDB Entry DOI: 10.7270/Q26W9CW2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50133175 (CHEMBL3634825) Show SMILES CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C30H30FN3O3/c1-20(30-32-26-5-2-3-6-27(26)36-30)21-7-10-24(11-8-21)35-18-4-15-34-16-13-22(14-17-34)29-25-12-9-23(31)19-28(25)37-33-29/h2-3,5-12,19-20,22H,4,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 25: 5299-305 (2015) BindingDB Entry DOI: 10.7270/Q26W9CW2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50133175 (CHEMBL3634825) Show SMILES CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C30H30FN3O3/c1-20(30-32-26-5-2-3-6-27(26)36-30)21-7-10-24(11-8-21)35-18-4-15-34-16-13-22(14-17-34)29-25-12-9-23(31)19-28(25)37-33-29/h2-3,5-12,19-20,22H,4,13-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by whole-cell patch clamp method				Bioorg Med Chem Lett 25: 5299-305 (2015) BindingDB Entry DOI: 10.7270/Q26W9CW2
					More data for this Ligand-Target Pair