BDBM50267794 CHEMBL4060837

SMILES: Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1

InChI Key: InChIKey=VWGCBHSNAGFTHA-UHFFFAOYSA-O

Data: 7 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 7 hits for monomerid = 50267794   

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))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50267794 (CHEMBL4060837) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.O=C(NCCCCN1CC[N+]2(CCOc3ccccc23)CC1)c1cc2ccccn2n1 Show InChI InChI=1S/C24H29N5O2/c30-24(21-19-20-7-3-5-12-28(20)26-21)25-10-4-6-11-27-13-15-29(16-14-27)17-18-31-23-9-2-1-8-22(23)29/h1-3,5,7-9,12,19H,4,6,10-11,13-18H2/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes				Bioorg Med Chem 25: 3491-3499 (2017) Article DOI: 10.1016/j.bmc.2017.04.036 BindingDB Entry DOI: 10.7270/Q2KW5JH3
					More data for this Ligand-Target Pair