BDBM14834 1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea::3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB-796 Analog 11::CHEMBL107850::Dopamine D2 receptor and serotonin 2a receptor::diaryl urea compound 3

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO

InChI Key: InChIKey=GPWFFJYJAIOOMC-UHFFFAOYSA-N

Data: 3 Kd  2 K_off  1 K_on  1 ITC

PDB links: 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 5 hits for monomerid = 14834   

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))	BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO Show InChI InChI=1S/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	7.0	23
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half re...				J Med Chem 46: 4669-75 (2003) Article DOI: 10.1021/jm030120s BindingDB Entry DOI: 10.7270/Q2833Q8J
					More data for this Ligand-Target Pair
MAP kinase p38 (Mus musculus (mouse))	BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO Show InChI InChI=1S/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	56	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO Show InChI InChI=1S/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.000400	2.54E+4	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO Show InChI InChI=1S/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	16	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO Show InChI InChI=1S/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.000400	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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 14834

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
BDBM14834 (1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB		n/a	n/a	-11.4	7.70	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.				J Med Chem 46: 4669-75 (2003)