BDBM50105601 5-tert-Butyl-3-[3-(5-methyl-[1,3,4]thiadiazol-2-yl)-ureido]-thiophene-2-carboxylic acid methyl ester::CHEMBL317839::methyl 5-tert-butyl-3-(3-(5-methyl-1,3,4-thiadiazol-2-yl)ureido)thiophene-2-carboxylate

SMILES: COC(=O)c1sc(cc1NC(=O)Nc1nnc(C)s1)C(C)(C)C

InChI Key: InChIKey=JTHGVCMMUBHZQV-UHFFFAOYSA-N

Data: 2 IC50

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 = 50105601   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105601 (5-tert-Butyl-3-[3-(5-methyl-[1,3,4]thiadiazol-2-yl...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1nnc(C)s1)C(C)(C)C Show InChI InChI=1S/C14H18N4O3S2/c1-7-17-18-13(22-7)16-12(20)15-8-6-9(14(2,3)4)23-10(8)11(19)21-5/h6H,1-5H3,(H2,15,16,18,20)	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	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Raf1 kinase				Bioorg Med Chem Lett 18: 2346-50 (2008) Article DOI: 10.1016/j.bmcl.2008.02.068 BindingDB Entry DOI: 10.7270/Q25X29S8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105601 (5-tert-Butyl-3-[3-(5-methyl-[1,3,4]thiadiazol-2-yl...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1nnc(C)s1)C(C)(C)C Show InChI InChI=1S/C14H18N4O3S2/c1-7-17-18-13(22-7)16-12(20)15-8-6-9(14(2,3)4)23-10(8)11(19)21-5/h6H,1-5H3,(H2,15,16,18,20)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair