BDBM50441500 CHEMBL2436632

SMILES: Cn1c2CCN(CCc2c2ccccc12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1

InChI Key: InChIKey=VBAGFAWQNDYXGA-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50441500   

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)	BDBM50441500 (CHEMBL2436632) Show SMILES Cn1c2CCN(CCc2c2ccccc12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C30H39FN6O/c1-34-26-5-3-2-4-24(26)25-9-16-36(17-10-27(25)34)23-7-14-37(15-8-23)29(38)30(31)11-18-35(19-12-30)21-22-6-13-33-28(32)20-22/h2-6,13,20,23H,7-12,14-19,21H2,1H3,(H2,32,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	46	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))	BDBM50441500 (CHEMBL2436632) Show SMILES Cn1c2CCN(CCc2c2ccccc12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C30H39FN6O/c1-34-26-5-3-2-4-24(26)25-9-16-36(17-10-27(25)34)23-7-14-37(15-8-23)29(38)30(31)11-18-35(19-12-30)21-22-6-13-33-28(32)20-22/h2-6,13,20,23H,7-12,14-19,21H2,1H3,(H2,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50441500 (CHEMBL2436632) Show SMILES Cn1c2CCN(CCc2c2ccccc12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C30H39FN6O/c1-34-26-5-3-2-4-24(26)25-9-16-36(17-10-27(25)34)23-7-14-37(15-8-23)29(38)30(31)11-18-35(19-12-30)21-22-6-13-33-28(32)20-22/h2-6,13,20,23H,7-12,14-19,21H2,1H3,(H2,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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