BDBM50375366 CHEMBL406418
SMILES: COc1cc(Nc2nn3c(N[C@@H](CO)C(C)C)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1
InChI Key: InChIKey=RKZGRKFZKLGNHH-SFHVURJKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50375366 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 |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50375366
(CHEMBL406418)Show SMILES COc1cc(Nc2nn3c(N[C@@H](CO)C(C)C)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1 Show InChI InChI=1S/C23H30N6O4/c1-12(2)18(11-30)26-19-10-17(13-5-6-13)27-23-20(21(24)31)22(28-29(19)23)25-14-7-15(32-3)9-16(8-14)33-4/h7-10,12-13,18,26,30H,5-6,11H2,1-4H3,(H2,24,31)(H,25,28)/t18-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human cSrc in COS7 cells by ELISA |
Bioorg Med Chem 16: 909-21 (2008)
Article DOI: 10.1016/j.bmc.2007.10.068 BindingDB Entry DOI: 10.7270/Q2CF9R01 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50375366
(CHEMBL406418)Show SMILES COc1cc(Nc2nn3c(N[C@@H](CO)C(C)C)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1 Show InChI InChI=1S/C23H30N6O4/c1-12(2)18(11-30)26-19-10-17(13-5-6-13)27-23-20(21(24)31)22(28-29(19)23)25-14-7-15(32-3)9-16(8-14)33-4/h7-10,12-13,18,26,30H,5-6,11H2,1-4H3,(H2,24,31)(H,25,28)/t18-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human cSrc |
Bioorg Med Chem 16: 909-21 (2008)
Article DOI: 10.1016/j.bmc.2007.10.068 BindingDB Entry DOI: 10.7270/Q2CF9R01 |
More data for this Ligand-Target Pair | |