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SMILES: COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N

InChI Key: InChIKey=LGFNXKJQQVMYQI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 209336   
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
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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US Patent
n/an/a 2n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/an/a 2.90n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a 9.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a 5.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Rattus norvegicus)		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a 12n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a 1.90n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair