BDBM50315203 (R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl-1H-inden-2-yl)-N,N-dimethylethanamine::CHEMBL1090176

SMILES: COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12

InChI Key: InChIKey=LHYWGVZKOTTYSZ-OAHLLOKOSA-N

Data: 4 KI  5 IC50

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 = 50315203   

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))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Binding affinity at histamine H1 receptor				Bioorg Med Chem Lett 20: 2629-33 (2010) Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of histamine H1 receptor				Bioorg Med Chem Lett 20: 5874-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.117 BindingDB Entry DOI: 10.7270/Q26W9BDC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+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 dofetilide from human ERG				Bioorg Med Chem Lett 20: 2629-33 (2010) Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL 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 Binding affinity at M1 receptor				Bioorg Med Chem Lett 20: 2629-33 (2010) Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem Lett 20: 2629-33 (2010) Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 CYP3A4				Bioorg Med Chem Lett 20: 2629-33 (2010) Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5874-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.117 BindingDB Entry DOI: 10.7270/Q26W9BDC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 CYP3A4				Bioorg Med Chem Lett 20: 5874-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.117 BindingDB Entry DOI: 10.7270/Q26W9BDC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50315203 ((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...) Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11| Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 2629-33 (2010) Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV
					More data for this Ligand-Target Pair