BDBM50301504 1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(4-fluorophenyl)urea::CHEMBL583624

SMILES: Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1

InChI Key: InChIKey=NNAQQWKMWYGTDJ-UHFFFAOYSA-N

Data: 2 KI

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 = 50301504   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50301504 (1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...) Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1 |(28.29,-24.64,;28.25,-26.18,;29.48,-27.11,;28.97,-28.57,;27.43,-28.53,;26.5,-29.76,;26.99,-27.06,;25.54,-26.54,;24.21,-27.31,;22.88,-26.54,;21.55,-27.31,;20.21,-26.54,;20.21,-25,;18.88,-27.32,;17.55,-26.55,;16.21,-27.32,;14.87,-26.55,;14.88,-25.01,;13.54,-24.24,;16.21,-24.23,;17.54,-25,;22.87,-25.01,;24.2,-24.23,;25.54,-25,;26.87,-24.22,;26.87,-22.68,;28.2,-21.91,;29.54,-22.68,;29.71,-24.2,;31.22,-24.51,;31.98,-23.18,;30.95,-22.04,)| Show InChI InChI=1S/C23H25BrFN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells				Bioorg Med Chem Lett 19: 5486-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.073 BindingDB Entry DOI: 10.7270/Q20V8CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50301504 (1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...) Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1 |(28.29,-24.64,;28.25,-26.18,;29.48,-27.11,;28.97,-28.57,;27.43,-28.53,;26.5,-29.76,;26.99,-27.06,;25.54,-26.54,;24.21,-27.31,;22.88,-26.54,;21.55,-27.31,;20.21,-26.54,;20.21,-25,;18.88,-27.32,;17.55,-26.55,;16.21,-27.32,;14.87,-26.55,;14.88,-25.01,;13.54,-24.24,;16.21,-24.23,;17.54,-25,;22.87,-25.01,;24.2,-24.23,;25.54,-25,;26.87,-24.22,;26.87,-22.68,;28.2,-21.91,;29.54,-22.68,;29.71,-24.2,;31.22,-24.51,;31.98,-23.18,;30.95,-22.04,)| Show InChI InChI=1S/C23H25BrFN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor expressed in HEK cells				Bioorg Med Chem Lett 19: 5486-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.073 BindingDB Entry DOI: 10.7270/Q20V8CWG
					More data for this Ligand-Target Pair