BDBM50313643 (E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)benzamide::CHEMBL1080580
SMILES: Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1
InChI Key: InChIKey=OINCRSHJNMRVSX-YRNVUSSQSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50313643 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 |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50313643
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(27-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)28-25-29-22(15-34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,32)(H,28,29)(H,30,31)/b11-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta |
J Med Chem 53: 1413-37 (2010)
Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50313643
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(27-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)28-25-29-22(15-34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,32)(H,28,29)(H,30,31)/b11-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl |
J Med Chem 53: 1413-37 (2010)
Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0 |
More data for this Ligand-Target Pair | |