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SMILES: CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1

InChI Key: InChIKey=RCQLJPMEVONOSW-GGHZGINBSA-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 6 hits for monomerid = 497276   
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 Mer


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Activity Against Mer Tyrosine Kinase.


US Patent US11001586 (2021)

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


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Activity Against Tyro3 Tyrosine Kinase.


US Patent US11001586 (2021)

More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
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n/an/a 48n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
PDB
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n/an/a 59n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair