BDBM50395578 CHEMBL2165137::UNC10099993::US9156822, 21

SMILES: Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl

InChI Key: InChIKey=DXXXGJIMFKZHRL-UHFFFAOYSA-N

Data: 6 KI  3 EC50

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 9 hits for monomerid = 50395578   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor				J Med Chem 55: 7141-53 (2012) Article DOI: 10.1021/jm300603y BindingDB Entry DOI: 10.7270/Q2JD4XXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor				J Med Chem 55: 7141-53 (2012) Article DOI: 10.1021/jm300603y BindingDB Entry DOI: 10.7270/Q2JD4XXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to 5-HT2B receptor				J Med Chem 55: 7141-53 (2012) Article DOI: 10.1021/jm300603y BindingDB Entry DOI: 10.7270/Q2JD4XXH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor				J Med Chem 55: 7141-53 (2012) Article DOI: 10.1021/jm300603y BindingDB Entry DOI: 10.7270/Q2JD4XXH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method				J Med Chem 55: 7141-53 (2012) Article DOI: 10.1021/jm300603y BindingDB Entry DOI: 10.7270/Q2JD4XXH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well...				US Patent US9156822 (2015) BindingDB Entry DOI: 10.7270/Q2H41Q6D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin recruitment at 6 uM after 18 hrs by luminescence assay				J Med Chem 55: 7141-53 (2012) Article DOI: 10.1021/jm300603y BindingDB Entry DOI: 10.7270/Q2JD4XXH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	82	n/a	n/a	7.4	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Recruitment of β-arrestin to agonist-stimulated D2 receptors was performed using a previously described Tango-type assay (Barnea et al., Proc. N...				US Patent US9156822 (2015) BindingDB Entry DOI: 10.7270/Q2H41Q6D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50395578 (CHEMBL2165137 | UNC10099993 | US9156822, 21) Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	21	n/a	n/a	7.4	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description HEK293T cells co-expressing the cAMP biosensor GloSensor-22F (Promega) and hD2 receptors were seeded (10,000 cells/20 ul/well) into white, clear-bott...				US Patent US9156822 (2015) BindingDB Entry DOI: 10.7270/Q2H41Q6D
					More data for this Ligand-Target Pair