BDBM92626 Pyrido analog, 3
SMILES: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O
InChI Key: InChIKey=IMLLFFIWQIAPHC-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 92626 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 |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM92626
(Pyrido analog, 3)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O Show InChI InChI=1S/C29H22F3N5O2/c1-17-11-12-22(34-26(38)18-7-6-8-20(13-18)29(30,31)32)15-23(17)24-14-19-16-33-28(35-21-9-4-3-5-10-21)36-25(19)37(2)27(24)39/h3-16H,1-2H3,(H,34,38)(H,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 m... |
Bioorg Med Chem Lett 27: 1776-1779 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.060 BindingDB Entry DOI: 10.7270/Q2H41TQC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM92626
(Pyrido analog, 3)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O Show InChI InChI=1S/C29H22F3N5O2/c1-17-11-12-22(34-26(38)18-7-6-8-20(13-18)29(30,31)32)15-23(17)24-14-19-16-33-28(35-21-9-4-3-5-10-21)36-25(19)37(2)27(24)39/h3-16H,1-2H3,(H,34,38)(H,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description A Lance TR-FRET assay (Perkin Elmer) was used to measure and compare the potency of compounds against Syk kinase domain. |
Chem Biol Drug Des 80: 657-64 (2012)
Article DOI: 10.1111/j.1747-0285.2012.01443.x BindingDB Entry DOI: 10.7270/Q2BG2MKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |