BDBM50409503 CHEMBL310153

SMILES: COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1

InChI Key: InChIKey=UMEYBQLIJXNFOT-UHFFFAOYSA-N

Data: 10 KI  1 Kd

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 11 hits for monomerid = 50409503   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tested for the binding affinity towards 5-HT2 receptor measured by [3H]ketanserin binding to frontal cerebral cortex membranes of rat				Citation and Details BindingDB Entry DOI: 10.7270/Q2TB1912
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Kinetic inhibition constant evaluated by measuring serotonergic activity				J Med Chem 43: 3233-43 (2000) Article DOI: 10.1021/jm000941m BindingDB Entry DOI: 10.7270/Q2QJ7M2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]SCH-23390 binding from Dopamine 1 (D1) receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair