BDBM50352079 CHEMBL1824249

SMILES: CCCCN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=YSFJQETUBNXLQX-AFARHQOCSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50352079   

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 (Homo sapiens (Human))	BDBM50352079 (CHEMBL1824249) Show SMILES CCCCN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:5.4,wD:8.11,(39.04,-38.4,;37.5,-38.39,;36.72,-39.72,;35.18,-39.7,;34.4,-41.03,;32.86,-41.01,;32.07,-42.34,;30.54,-42.33,;29.78,-40.99,;30.55,-39.66,;32.09,-39.67,;28.23,-40.97,;27.45,-42.3,;25.92,-42.3,;25.16,-40.95,;23.62,-40.95,;22.85,-42.28,;21.31,-42.28,;20.54,-40.95,;19,-40.95,;18.23,-42.27,;16.69,-42.27,;15.92,-40.95,;16.69,-39.61,;18.23,-39.61,;25.92,-39.63,;27.47,-39.64,)| Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins				Bioorg Med Chem Lett 21: 5384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50352079 (CHEMBL1824249) Show SMILES CCCCN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:5.4,wD:8.11,(39.04,-38.4,;37.5,-38.39,;36.72,-39.72,;35.18,-39.7,;34.4,-41.03,;32.86,-41.01,;32.07,-42.34,;30.54,-42.33,;29.78,-40.99,;30.55,-39.66,;32.09,-39.67,;28.23,-40.97,;27.45,-42.3,;25.92,-42.3,;25.16,-40.95,;23.62,-40.95,;22.85,-42.28,;21.31,-42.28,;20.54,-40.95,;19,-40.95,;18.23,-42.27,;16.69,-42.27,;15.92,-40.95,;16.69,-39.61,;18.23,-39.61,;25.92,-39.63,;27.47,-39.64,)| Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23-	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 5384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H
					More data for this Ligand-Target Pair