BDBM50325462 1-(4-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one::CHEMBL1223001

SMILES: Clc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1

InChI Key: InChIKey=JCMLBHBSAUYDRL-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 = 50325462   

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
HRH3 (GUINEA PIG)	BDBM50325462 (1-(4-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES Clc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1 Show InChI InChI=1S/C31H34ClN5O2/c32-26-7-5-23(6-8-26)22-36-28-3-1-2-4-29(28)37(31(36)39)27-13-19-35(20-14-27)30(38)25-11-17-34(18-12-25)21-24-9-15-33-16-10-24/h1-10,15-16,25,27H,11-14,17-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50325462 (1-(4-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES Clc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1 Show InChI InChI=1S/C31H34ClN5O2/c32-26-7-5-23(6-8-26)22-36-28-3-1-2-4-29(28)37(31(36)39)27-13-19-35(20-14-27)30(38)25-11-17-34(18-12-25)21-24-9-15-33-16-10-24/h1-10,15-16,25,27H,11-14,17-22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325462 (1-(4-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES Clc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1 Show InChI InChI=1S/C31H34ClN5O2/c32-26-7-5-23(6-8-26)22-36-28-3-1-2-4-29(28)37(31(36)39)27-13-19-35(20-14-27)30(38)25-11-17-34(18-12-25)21-24-9-15-33-16-10-24/h1-10,15-16,25,27H,11-14,17-22H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	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 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair