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SMILES: CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4[C@@H]5C[C@@H](c4c3)C(=O)NC5)ncc2C(F)(F)F)c1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 586624   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM586624
PNG
(D3RKN_4)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4[C@@H]5C[C@@H](c4c3)C(=O)NC5)ncc2C(F)(F)F)c1 |TLB:25:24:18.22:20,THB:17:18:20:27.26.24,23:22:20:27.26.24|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/an/a 26n/an/an/an/an/a


TBA

Assay Description
D3R2021


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5KHH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM586624
PNG
(D3RKN_4)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4[C@@H]5C[C@@H](c4c3)C(=O)NC5)ncc2C(F)(F)F)c1 |TLB:25:24:18.22:20,THB:17:18:20:27.26.24,23:22:20:27.26.24|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/an/a 1.00E+4n/an/an/an/an/a


TBA

Assay Description
D3R2023


Citation and Details

BindingDB Entry DOI: 10.7270/Q251433M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM586624
PNG
(D3RKN_4)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4[C@@H]5C[C@@H](c4c3)C(=O)NC5)ncc2C(F)(F)F)c1 |TLB:25:24:18.22:20,THB:17:18:20:27.26.24,23:22:20:27.26.24|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/an/a 2.10n/an/an/an/an/a


TBA

Assay Description
D3R2022


Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4TSS
More data for this
Ligand-Target Pair