BDBM50183264 CHEMBL3818881

SMILES: Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1

InChI Key: InChIKey=PCETXEVYTSSFMY-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50183264   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	182	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(4) dopamine receptor (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	508	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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	Reactome pathway KEGG UniProtKB/SwissProt 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
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 2B (Homo sapiens (Human))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	758	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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	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 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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+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]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))	BDBM50183264 (CHEMBL3818881) Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1 |TLB:25:2:5.6:9,THB:1:2:5.6:9| Show InChI InChI=1S/C25H27ClN2O2S.ClH/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24;/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+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]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