null

SMILES: Cc1nnc2CN(Cc3ccsc3-n12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1

InChI Key: InChIKey=UADYGGCZODNWRD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441511   

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 H3 receptor (Mus musculus)	BDBM50441511 (CHEMBL2436620) Show SMILES Cc1nnc2CN(Cc3ccsc3-n12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C26H33FN8OS/c1-18-30-31-23-17-34(16-20-5-13-37-24(20)35(18)23)21-3-9-33(10-4-21)25(36)26(27)6-11-32(12-7-26)15-19-2-8-29-22(28)14-19/h2,5,8,13-14,21H,3-4,6-7,9-12,15-17H2,1H3,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441511 (CHEMBL2436620) Show SMILES Cc1nnc2CN(Cc3ccsc3-n12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C26H33FN8OS/c1-18-30-31-23-17-34(16-20-5-13-37-24(20)35(18)23)21-3-9-33(10-4-21)25(36)26(27)6-11-32(12-7-26)15-19-2-8-29-22(28)14-19/h2,5,8,13-14,21H,3-4,6-7,9-12,15-17H2,1H3,(H2,28,29)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441511 (CHEMBL2436620) Show SMILES Cc1nnc2CN(Cc3ccsc3-n12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C26H33FN8OS/c1-18-30-31-23-17-34(16-20-5-13-37-24(20)35(18)23)21-3-9-33(10-4-21)25(36)26(27)6-11-32(12-7-26)15-19-2-8-29-22(28)14-19/h2,5,8,13-14,21H,3-4,6-7,9-12,15-17H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair