null

SMILES: C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc12)c1cnccn1

InChI Key: InChIKey=VVGNEGYIOFKVTA-KRWDZBQOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336080   

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))	BDBM50336080 ((R)-N-methyl-2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inden...) Show SMILES C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C23H25N3S/c1-17(22-15-24-10-11-25-22)23-19(14-18-6-3-4-8-21(18)23)9-12-26(2)16-20-7-5-13-27-20/h3-8,10-11,13,15,17H,9,12,14,16H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	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 to histamine H1 receptor				Bioorg Med Chem Lett 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336080 ((R)-N-methyl-2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inden...) Show SMILES C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C23H25N3S/c1-17(22-15-24-10-11-25-22)23-19(14-18-6-3-4-8-21(18)23)9-12-26(2)16-20-7-5-13-27-20/h3-8,10-11,13,15,17H,9,12,14,16H2,1-2H3/t17-/m0/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	1.83E+3	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 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50336080 ((R)-N-methyl-2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inden...) Show SMILES C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C23H25N3S/c1-17(22-15-24-10-11-25-22)23-19(14-18-6-3-4-8-21(18)23)9-12-26(2)16-20-7-5-13-27-20/h3-8,10-11,13,15,17H,9,12,14,16H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+3	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 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair