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SMILES: CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31

InChI Key: InChIKey=XPFXYWKICZQNES-MRXNPFEDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50336855   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336855 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50336855 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336855 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50336855 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor low binding site by radioligand displacement assay				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50336855 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair