null

SMILES: CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12

InChI Key: InChIKey=DQNCRNVCBHYBQP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50078062   

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))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 of rat corpus striatum using [3H]-spiperone as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards histamine H1 receptor from rat brain membranes using [3H]-mepyramine as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Inhibition of binding of 1.0 nM [3H]-pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards D1 CNS receptor of rat corpus striatum using [3H]-SCH-23,390 as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50078062 (CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human D4.2 receptor				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair