BDBM50183066 CHEMBL3818124

SMILES: Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1

InChI Key: InChIKey=JEYKHDMZDCZJFI-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 50183066   

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 (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 1A (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	499	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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	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 2C (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	614	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 human recombinant 5HT2C 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 2C (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	617	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 human recombinant 5HT2C 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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+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]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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.51E+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 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 7 (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.59E+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]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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.59E+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]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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.59E+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 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 7 (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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]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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.06E+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]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))	BDBM50183066 (CHEMBL3818124) Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.09E+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]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