BDBM50249406 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(pyridin-4-yloxy)phenyl)urea::CHEMBL472620::US9187470, 61

SMILES: Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C

InChI Key: InChIKey=MHSLDASSAFCCDO-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50249406   

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 13 (MAPK13) (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of B-Raf1 (unknown origin)				Eur J Med Chem 44: 1240-9 (2009) Article DOI: 10.1016/j.ejmech.2008.09.016 BindingDB Entry DOI: 10.7270/Q28G8KJ5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13) (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	82.7	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)