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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'klaeger' and Initial = 's'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551643
PNG
(CHEMBL4790597)
Show SMILES CN([C@H]1C[C@]2(C)O[C@](C)(C1)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13)C(=O)c1ccccc1 |r|
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551643
PNG
(CHEMBL4790597)
Show SMILES CN([C@H]1C[C@]2(C)O[C@](C)(C1)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13)C(=O)c1ccccc1 |r|
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n/an/a 0.730n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.800n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50299218
PNG
(8-(2-Methoxyphenyl)-1-methyl-7-(2'-methyl-5'-hydro...)
Show SMILES COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|
Show InChI InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)
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n/an/a 1n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 1.30n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 1.90n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551644
PNG
(CHEMBL4745937)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)no1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551649
PNG
(CHEMBL4765060)
Show SMILES Cl.CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(OC(=O)N4CCC(CC4)N4CCCCC4)ccc3[nH]2)no1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551649
PNG
(CHEMBL4765060)
Show SMILES Cl.CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(OC(=O)N4CCC(CC4)N4CCCCC4)ccc3[nH]2)no1
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM209859
PNG
(4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpip...)
Show SMILES CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1
Show InChI InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 4n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50311316
PNG
(CHEMBL1077739 | LDN-211904 | N-(2-chlorophenyl)-6-...)
Show SMILES Clc1ccccc1NC(=O)c1cnc2ccc(cn12)C1CCNCC1
Show InChI InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
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n/an/a 4.10n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM209858
PNG
(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Show SMILES CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM209861
PNG
(5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12
Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
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n/an/a 4.80n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551644
PNG
(CHEMBL4745937)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)no1
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551647
PNG
(CHEMBL4755980)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551650
PNG
(CHEMBL4754982)
Show SMILES CC(C)(C)c1nnc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)s1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50100615
PNG
(E-7050 | E7050 | Golvatinib)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1
Show InChI InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
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n/an/a 13n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM209860
PNG
(4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-...)
Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3ncc(cn3)-c3cncnc3)c2)C1
Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-24(11-27(19)39-29-36-14-23(15-37-29)22-12-34-18-35-13-22)38-28(42)20-5-6-21(26(10-20)30(31,32)33)16-41-9-8-25(17-41)40(2)3/h4-7,10-15,18,25H,8-9,16-17H2,1-3H3,(H,38,42)(H,36,37,39)/t25-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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n/an/a 28n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551650
PNG
(CHEMBL4754982)
Show SMILES CC(C)(C)c1nnc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)s1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 33n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551648
PNG
(CHEMBL4740264)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cc3cc([nH]c3cn2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 [596-900]


(Homo sapiens (Human))		BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 48n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.

ACS Chem Biol 11: 3400-3411 (2016)


Article DOI: 10.1021/acschembio.6b00709
BindingDB Entry DOI: 10.7270/Q2TD9W5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551646
PNG
(CHEMBL4751666)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2[nH]1
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n/an/a 85n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551645
PNG
(CHEMBL4764595)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(NC(=O)Nc3cc(on3)C(C)(C)C)ccc2[nH]1
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n/an/a 133n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 137n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551647
PNG
(CHEMBL4755980)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551646
PNG
(CHEMBL4751666)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2[nH]1
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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551648
PNG
(CHEMBL4740264)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cc3cc([nH]c3cn2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 2.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50551645
PNG
(CHEMBL4764595)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(NC(=O)Nc3cc(on3)C(C)(C)C)ccc2[nH]1
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n/an/a 3.53E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM185145
PNG
(7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylm...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)C1CC(CN2CCC2)C1 |(4.47,1.16,;4.47,-.38,;3.14,-1.15,;3.14,-2.69,;4.47,-3.46,;5.81,-2.69,;7.27,-3.16,;8.16,-1.92,;7.27,-.68,;7.74,.79,;9.25,1.1,;9.73,2.57,;8.7,3.71,;7.19,3.4,;6.17,4.54,;6.64,6.01,;5.62,7.15,;6.09,8.62,;5.07,9.76,;3.56,9.44,;3.08,7.98,;4.11,6.83,;6.72,1.93,;5.81,-1.15,;7.74,-4.62,;9.12,-5.32,;8.42,-6.69,;8.9,-8.15,;10.41,-8.47,;11.25,-9.76,;12.54,-8.92,;11.7,-7.63,;7.05,-5.99,)|
Show InChI InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)
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n/an/an/a 4.40E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM185146
PNG
(6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-y...)
Show SMILES Cc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1Oc1ccn2ncnc2c1
Show InChI InChI=1S/C29H27N7O4S/c1-19-13-21(4-7-26(19)39-22-9-11-36-28(15-22)32-18-34-36)35-29-24-14-20(3-6-25(24)31-17-33-29)27-8-5-23(40-27)16-30-10-12-41(2,37)38/h3-9,11,13-15,17-18,30H,10,12,16H2,1-2H3,(H,31,33,35)
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n/an/an/a 6.40E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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n/an/an/a 3.10E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50429701
PNG
(AZD-2014 | CHEMBL2336325 | US9102670, 1ap)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1
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n/an/an/a 3.40E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/an/a 2.60E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50348452
PNG
(AZD-8055 | CHEMBL1801204 | US9102670, 1a)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
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n/an/an/a 6.20E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM185147
PNG
((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
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n/an/an/a 3.40E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM185148
PNG
((3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,...)
Show SMILES COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
Show InChI InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/an/a 2.80E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM31340
PNG
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)
Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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n/an/an/a 2.30E+4n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM185149
PNG
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
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n/an/an/a 3.80E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/an/a 3.50E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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n/an/an/a 700n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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n/an/an/a 3.10E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 9.30E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
Ferrochelatase, mitochondrial [R115L]


(Homo sapiens (Human))		BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...

ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
More data for this
Ligand-Target Pair
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