BDBM50183070 CHEMBL3818478

SMILES: O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1

InChI Key: InChIKey=IARMAQZFHNEVDV-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50183070   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	982	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50183070 (CHEMBL3818478) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor incubated for 1.5 hrs by microbeta scintillation counting method				Bioorg Med Chem 24: 3671-9 (2016) BindingDB Entry DOI: 10.7270/Q2W66NPV
					More data for this Ligand-Target Pair