BDBM50105614 5-tert-Butyl-3-[3-(1-isopropyl-1H-pyrrol-3-yl)-ureido]-thiophene-2-carboxylic acid methyl ester::CHEMBL93185::methyl 5-tert-butyl-3-(3-(1-isopropyl-1H-pyrrol-3-yl)ureido)thiophene-2-carboxylate
SMILES: COC(=O)c1sc(cc1NC(=O)Nc1ccn(c1)C(C)C)C(C)(C)C
InChI Key: InChIKey=WBQJSHGQVULOKR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50105614 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)) | BDBM50105614
(5-tert-Butyl-3-[3-(1-isopropyl-1H-pyrrol-3-yl)-ure...)Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccn(c1)C(C)C)C(C)(C)C Show InChI InChI=1S/C18H25N3O3S/c1-11(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6/h7-11H,1-6H3,(H2,19,20,23) | 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 | 8.10E+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 | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50105614
(5-tert-Butyl-3-[3-(1-isopropyl-1H-pyrrol-3-yl)-ure...)Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccn(c1)C(C)C)C(C)(C)C Show InChI InChI=1S/C18H25N3O3S/c1-11(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6/h7-11H,1-6H3,(H2,19,20,23) | 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 | 8.10E+3 | 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 | |