BDBM50314288 1-(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)-1-(4-chlorophenyl)-3-(4-fluorobenzyl)urea::CHEMBL1091836

SMILES: Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1

InChI Key: InChIKey=SLKZDILCMYJAFM-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50314288   

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))	BDBM50314288 (1-(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)-...) Show SMILES Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1 Show InChI InChI=1S/C25H27ClFN5O/c26-20-3-7-22(8-4-20)32(25(33)30-16-18-1-5-21(27)6-2-18)23-10-13-31(14-11-23)17-19-9-12-29-24(28)15-19/h1-9,12,15,23H,10-11,13-14,16-17H2,(H2,28,29)(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine 3 receptor				Bioorg Med Chem Lett 20: 2359-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.121 BindingDB Entry DOI: 10.7270/Q2Z31ZSM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50314288 (1-(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)-...) Show SMILES Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1 Show InChI InChI=1S/C25H27ClFN5O/c26-20-3-7-22(8-4-20)32(25(33)30-16-18-1-5-21(27)6-2-18)23-10-13-31(14-11-23)17-19-9-12-29-24(28)15-19/h1-9,12,15,23H,10-11,13-14,16-17H2,(H2,28,29)(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 human recombinant histamine H3 receptor by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50314288 (1-(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)-...) Show SMILES Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1 Show InChI InChI=1S/C25H27ClFN5O/c26-20-3-7-22(8-4-20)32(25(33)30-16-18-1-5-21(27)6-2-18)23-10-13-31(14-11-23)17-19-9-12-29-24(28)15-19/h1-9,12,15,23H,10-11,13-14,16-17H2,(H2,28,29)(H,30,33)	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	384	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50314288 (1-(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)-...) Show SMILES Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1 Show InChI InChI=1S/C25H27ClFN5O/c26-20-3-7-22(8-4-20)32(25(33)30-16-18-1-5-21(27)6-2-18)23-10-13-31(14-11-23)17-19-9-12-29-24(28)15-19/h1-9,12,15,23H,10-11,13-14,16-17H2,(H2,28,29)(H,30,33)	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	384	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG by ion works assay				Bioorg Med Chem Lett 20: 2359-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.121 BindingDB Entry DOI: 10.7270/Q2Z31ZSM
					More data for this Ligand-Target Pair