BDBM14842 1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-(2-phenyl-2H-pyrazol-3-yl)-urea::1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}-3-(1-phenyl-1H-pyrazol-5-yl)urea::BIRB-796 Analog 31::CHEMBL104119::Dopamine D2 receptor and serotonin 2a receptor::diaryl urea compound 1

SMILES: O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12

InChI Key: InChIKey=CCSCCHWFDTVWIO-UHFFFAOYSA-N

Data: 2 Kd  1 ITC

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 14842   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14842 (1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-...) Show SMILES O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 13: 3101-4 (2003) BindingDB Entry DOI: 10.7270/Q2CR5SSB
					More data for this Ligand-Target Pair
MAP kinase p38 (Mus musculus (mouse))	BDBM14842 (1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-...) Show SMILES O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32)	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	n/a	2.40E+3	n/a	n/a	n/a	7.0	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...				J Med Chem 46: 4676-86 (2003) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q24F1P00
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 14842

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM14842 (1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB		n/a	n/a	-4.29	5.93	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.				J Med Chem 46: 4669-75 (2003)