BDBM50183261 CHEMBL3819642

SMILES: Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZFSWQSIIELRIID-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50183261   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	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))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	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 1A (Homo sapiens (Human))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	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))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	162	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))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	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 2A (Homo sapiens (Human))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	166	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	168	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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	189	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))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	191	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))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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]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))	BDBM50183261 (CHEMBL3819642) Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	763	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