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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 187480   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM187480
PNG
(US9169252, 80 | US9169252, 94)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
Show InChI InChI=1S/C25H29N7O2/c1-15(2)30-21-11-22(32-9-8-18-10-16(12-26)13-29-23(18)32)28-14-20(21)25(34)31-19-6-4-17(5-7-19)24(33)27-3/h8-11,13-15,17,19H,4-7H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)/t17-,19-
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 1.10n/an/an/an/a7.2n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187480
PNG
(US9169252, 80 | US9169252, 94)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
Show InChI InChI=1S/C25H29N7O2/c1-15(2)30-21-11-22(32-9-8-18-10-16(12-26)13-29-23(18)32)28-14-20(21)25(34)31-19-6-4-17(5-7-19)24(33)27-3/h8-11,13-15,17,19H,4-7H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)/t17-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70n/an/an/an/a7.2n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair