BDBM50182749 CHEMBL3818200

SMILES: O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N

InChI Key: InChIKey=JPXQQLVVAAHNSC-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 = 50182749   

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 (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	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 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	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 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	152	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 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	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 H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	177	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 H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	295	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 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	336	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 D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	339	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 D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	345	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 rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	347	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 rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (Rat))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	443	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]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	755	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 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (Rat))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	759	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]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	759	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 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	895	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 SERT expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+3	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 D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50182749 (CHEMBL3818200) Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.46E+3	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 D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair