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SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N

InChI Key: InChIKey=GIKOKFUAVKJQBE-OAQYLSRUSA-N

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 2 hits for monomerid = 407110   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407110
PNG
((R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
Show InChI InChI=1S/C24H22F4N8O2/c1-23(2,38)21(25)11-31-22(37)17-10-30-19(20-4-3-16-5-14(7-29)8-33-36(16)20)6-18(17)34-15-9-32-35(12-15)13-24(26,27)28/h3-6,8-10,12,21,38H,11,13H2,1-2H3,(H,30,34)(H,31,37)/t21-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM407110
PNG
((R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|
Show InChI InChI=1S/C24H22F4N8O2/c1-23(2,38)21(25)11-31-22(37)17-10-30-19(20-4-3-16-5-14(7-29)8-33-36(16)20)6-18(17)34-15-9-32-35(12-15)13-24(26,27)28/h3-6,8-10,12,21,38H,11,13H2,1-2H3,(H,30,34)(H,31,37)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8n/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair