BDBM50183073 CHEMBL3818805

SMILES: Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1

InChI Key: InChIKey=ADUYXHYSTCIMEO-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 = 50183073   

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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	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 7 (Homo sapiens (Human))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	111	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	112	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	134	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	245	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))	BDBM50183073 (CHEMBL3818805) Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	255	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