null

SMILES: C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc12)c1cnccn1

InChI Key: InChIKey=OGTGPRXXTIEASF-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336070   

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))	BDBM50336070 ((R)-2-(methyl(2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inde...) Show SMILES C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C20H22N4/c1-15(19-14-22-9-10-23-19)20-17(7-11-24(2)12-8-21)13-16-5-3-4-6-18(16)20/h3-6,9-10,14-15H,7,11-13H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50336070 ((R)-2-(methyl(2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inde...) Show SMILES C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C20H22N4/c1-15(19-14-22-9-10-23-19)20-17(7-11-24(2)12-8-21)13-16-5-3-4-6-18(16)20/h3-6,9-10,14-15H,7,11-13H2,1-2H3/t15-/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	>1.00E+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 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))	BDBM50336070 ((R)-2-(methyl(2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inde...) Show SMILES C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C20H22N4/c1-15(19-14-22-9-10-23-19)20-17(7-11-24(2)12-8-21)13-16-5-3-4-6-18(16)20/h3-6,9-10,14-15H,7,11-13H2,1-2H3/t15-/m0/s1	PDB UniProtKB/SwissProt 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 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