null

SMILES: COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12

InChI Key: InChIKey=VDXIBLBHDRKGBK-CQSZACIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50314274   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from human ERG				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1	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
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysis				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50314274 ((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...) Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r| Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay				Bioorg Med Chem Lett 20: 2316-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0
					More data for this Ligand-Target Pair