BDBM50183265 CHEMBL3819567

SMILES: O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1

InChI Key: InChIKey=AVKICTLBRHZUTM-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50183265   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	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))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	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))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	123	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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	132	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))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	132	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	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))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	504	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 7 (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	626	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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50183265 (CHEMBL3819567) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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]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