BDBM50155341 1-(4-{4-[3-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidin-1-yl)propoxy]phenyl}but-3-yn-1-yl)-1-hydroxyurea::CHEMBL188021

SMILES: [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1

InChI Key: InChIKey=WLCVFIFUKJWBRL-UHFFFAOYSA-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 = 50155341   

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 H1 receptor (Homo sapiens (Human))	BDBM50155341 (1-(4-{4-[3-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...) Show SMILES [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1 Show InChI InChI=1S/C33H35ClN4O3/c34-28-11-14-30-27(23-28)10-9-26-6-3-17-36-32(26)31(30)25-15-20-37(21-16-25)18-4-22-41-29-12-7-24(8-13-29)5-1-2-19-38(40)33(35)39/h3,6-8,11-14,17,23,40H,2,4,9-10,15-16,18-22H2,(H2,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 14: 5591-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50155341 (1-(4-{4-[3-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...) Show SMILES [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1 Show InChI InChI=1S/C33H35ClN4O3/c34-28-11-14-30-27(23-28)10-9-26-6-3-17-36-32(26)31(30)25-15-20-37(21-16-25)18-4-22-41-29-12-7-24(8-13-29)5-1-2-19-38(40)33(35)39/h3,6-8,11-14,17,23,40H,2,4,9-10,15-16,18-22H2,(H2,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description Inhibition of 5-lipooxygenase activity in human whole blood assay				Bioorg Med Chem Lett 14: 5591-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH
					More data for this Ligand-Target Pair