BDBM50245306 CHEMBL4105656
SMILES: CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)S(=O)(=O)NC)ncn2)c1
InChI Key: InChIKey=QWZZLPLERLAQAL-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50245306 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 |
TNNI3K
(Homo sapiens (Human)) | BDBM50245306
(CHEMBL4105656)Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)S(=O)(=O)NC)ncn2)c1 Show InChI InChI=1S/C18H20N6O4S2/c1-19-29(25,26)15-7-3-5-13(9-15)23-17-11-18(22-12-21-17)24-14-6-4-8-16(10-14)30(27,28)20-2/h3-12,19-20H,1-2H3,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of mammalian ribonucleotide reductase |
J Med Chem 61: 3076-3088 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50245306
(CHEMBL4105656)Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)S(=O)(=O)NC)ncn2)c1 Show InChI InChI=1S/C18H20N6O4S2/c1-19-29(25,26)15-7-3-5-13(9-15)23-17-11-18(22-12-21-17)24-14-6-4-8-16(10-14)30(27,28)20-2/h3-12,19-20H,1-2H3,(H2,21,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
J Med Chem 61: 3076-3088 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C |
More data for this Ligand-Target Pair | |