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SMILES: COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1

InChI Key: InChIKey=YNJCAZOZKRWGKA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50007185   

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 (Rattus norvegicus (rat))	BDBM50007185 (CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...				J Med Chem 34: 2633-8 (1991) BindingDB Entry DOI: 10.7270/Q2833R0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007185 (CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement				J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50007185 (CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2639RWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007185 (CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand				Citation and Details BindingDB Entry DOI: 10.7270/Q2639RWP
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007185 (CHEMBL21008 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor of rat frontal cortex using [3H]- WB- 4101 as a radioligand				J Med Chem 34: 2633-8 (1991) BindingDB Entry DOI: 10.7270/Q2833R0C
					More data for this Ligand-Target Pair