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SMILES: Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N

InChI Key: InChIKey=PHPKMXFRPJBGSR-BGYRXZFFSA-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 9 hits for monomerid = 396968   
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
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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Pfizer



Assay Description
Autophosphorylation of Axl was carried out by incubating the recombinant Axl protein (Life Technologies, PV4275) in buffer containing 50 mM Tris, pH7...


J Med Chem 52: 3576-85 (2009)


BindingDB Entry DOI: 10.7270/Q2FB5593
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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Assay Description
Tyro3, and Mer:The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolve...


J Med Chem 52: 3576-85 (2009)


BindingDB Entry DOI: 10.7270/Q2FB5593
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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Assay Description
Tyro3, and Mer:The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolve...


J Med Chem 52: 3576-85 (2009)


BindingDB Entry DOI: 10.7270/Q2FB5593
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10442810 (2019)


BindingDB Entry DOI: 10.7270/Q2NG4T17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
PDB
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n/an/a 55n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10844069 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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n/an/a 55n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10442810 (2019)


BindingDB Entry DOI: 10.7270/Q2NG4T17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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n/an/a<5n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10844069 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10844069 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM396968
PNG
(N-{4-[4-Amino-7-(cis-4-cyanocyclohexyl)pyrrolo[2,1...)
Show SMILES Nc1ncnn2c(cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12)[C@@H]1CC[C@@H](CC1)C#N |r,wU:33.37,36.44,(-5.98,13.38,;-6.45,11.92,;-7.96,11.6,;-8.44,10.13,;-7.41,8.99,;-5.9,9.31,;-4.65,8.4,;-3.41,9.31,;-3.88,10.77,;-3.11,12.11,;-3.88,13.44,;-3.11,14.78,;-1.57,14.78,;-.8,16.11,;.74,16.11,;1.51,14.78,;1.51,17.44,;.74,18.78,;1.51,20.11,;3.05,20.11,;3.82,18.78,;5.36,18.78,;6.13,17.44,;7.67,17.44,;8.44,18.78,;7.67,20.11,;6.13,20.11,;3.05,17.44,;3.82,16.11,;-.8,13.44,;-1.57,12.11,;-.8,10.77,;-5.42,10.77,;-4.65,6.86,;-5.99,6.09,;-5.99,4.55,;-4.65,3.78,;-3.32,4.55,;-3.32,6.09,;-4.65,2.24,;-4.65,.7,)|
Show InChI InChI=1S/C31H26FN7O2/c32-26-15-21(37-30(40)24-7-4-14-38(31(24)41)22-5-2-1-3-6-22)12-13-23(26)25-16-27(20-10-8-19(17-33)9-11-20)39-28(25)29(34)35-18-36-39/h1-7,12-16,18-20H,8-11H2,(H,37,40)(H2,34,35,36)/t19-,20+
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n/an/a<5n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10442810 (2019)


BindingDB Entry DOI: 10.7270/Q2NG4T17
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Ligand-Target Pair