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 Koff  2 Kon  1 ITC

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14836   

TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14836(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)
Affinity DataKd:  21nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14836(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)
Affinity DataKon:  0.00160M-1s-1 Koff:  7.33E+4s-1Assay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14836(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)
Affinity DataKoff:  7.33E+4s-1Assay Description:Rate of association to Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14836(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)
Affinity DataKd:  22nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 14836   

CellPNGBDBM14836(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Boehringer Ingelheim Pharmaceuticals Inc

Syringe5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
ITC DataΔH°: -11.6kcal/mole logk: 2.00E+8
pH: 7.0 T: 25.00°C