BDBM14836 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea::CHEMBL315100::Dopamine D2 receptor and serotonin 2a receptor::diaryl urea compound 5

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C

InChI Key: InChIKey=PFNBHJNERDWZGD-UHFFFAOYSA-N

Data: 2 Kd  1 K_off  2 K_on  1 ITC

PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain 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 4 hits for monomerid = 14836   

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))	BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O/c1-15-10-12-17(13-11-15)25-19(14-18(24-25)21(2,3)4)23-20(26)22-16-8-6-5-7-9-16/h5-14H,1-4H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	21	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				3D Structure (docked)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O/c1-15-10-12-17(13-11-15)25-19(14-18(24-25)21(2,3)4)23-20(26)22-16-8-6-5-7-9-16/h5-14H,1-4H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.00160	7.33E+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				3D Structure (docked)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O/c1-15-10-12-17(13-11-15)25-19(14-18(24-25)21(2,3)4)23-20(26)22-16-8-6-5-7-9-16/h5-14H,1-4H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	7.33E+4	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Rate of association to 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				3D Structure (docked)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O/c1-15-10-12-17(13-11-15)25-19(14-18(24-25)21(2,3)4)23-20(26)22-16-8-6-5-7-9-16/h5-14H,1-4H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	22	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				3D Structure (docked)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 14836

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
BDBM14836 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)	5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	PC cid PC sid	DrugBank GoogleScholar KEGG PDB		n/a	n/a	-11.6	8.30	7	25
	Boehringer Ingelheim Pharmaceuticals Inc.				J Med Chem 46: 4669-75 (2003)