BDBM50155339 1-{4-[4-(3-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}propoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea::CHEMBL185825

SMILES: NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=RKEGNNLTPLWIIC-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 = 50155339   

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))	BDBM50155339 (1-{4-[4-(3-{4-[bis(4-fluorophenyl)methyl]piperazin...) Show SMILES NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C31H34F2N4O3/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)36-21-19-35(20-22-36)17-3-23-40-29-15-5-24(6-16-29)4-1-2-18-37(39)31(34)38/h5-16,30,39H,2-3,17-23H2,(H2,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	109	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))	BDBM50155339 (1-{4-[4-(3-{4-[bis(4-fluorophenyl)methyl]piperazin...) Show SMILES NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C31H34F2N4O3/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)36-21-19-35(20-22-36)17-3-23-40-29-15-5-24(6-16-29)4-1-2-18-37(39)31(34)38/h5-16,30,39H,2-3,17-23H2,(H2,34,38)	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	90	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