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Compile Data Set for Download or QSAR

Found 405 hits with Last Name = 'yamane' and Initial = 'y'   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098965
PNG
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)
Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C
Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-
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0.0460n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50485562
PNG
(CHEMBL2074989)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O)c4c(O)c3C(=O)c12)C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C31H33N3O14S/c1-48-17-4-2-3-12-22(17)28(43)24-23(25(12)40)26(41)13-7-31(47,8-16(35)21(13)27(24)42)18(36)11-49-10-15(29(44)33-9-20(38)39)34-19(37)6-5-14(32)30(45)46/h2-4,14-16,35,41-42,47H,5-11,32H2,1H3,(H,33,44)(H,34,37)(H,38,39)(H,45,46)/t14-,15-,16-,31-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from SR3A cells


Biochem Biophys Res Commun 247: 859-63 (1998)


Article DOI: 10.1006/bbrc.1998.8887
BindingDB Entry DOI: 10.7270/Q2BR8W1J
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50368352
PNG
(Cerubidine | DAUNORUBICIN)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from SR3A cells


Biochem Biophys Res Commun 247: 859-63 (1998)


Article DOI: 10.1006/bbrc.1998.8887
BindingDB Entry DOI: 10.7270/Q2BR8W1J
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50485563
PNG
(CHEMBL2075004)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C31H33N3O14S/c1-48-16-4-2-3-12-21(16)27(42)24-23(25(12)40)26(41)13-7-31(47,18(36)10-35)8-17(22(13)28(24)43)49-11-15(29(44)33-9-20(38)39)34-19(37)6-5-14(32)30(45)46/h2-4,14-15,17,35,41,43,47H,5-11,32H2,1H3,(H,33,44)(H,34,37)(H,38,39)(H,45,46)/t14-,15-,17-,31-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from SR3A cells


Biochem Biophys Res Commun 247: 859-63 (1998)


Article DOI: 10.1006/bbrc.1998.8887
BindingDB Entry DOI: 10.7270/Q2BR8W1J
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50485564
PNG
(CHEMBL2075006)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C37H44N4O16S/c1-14-30(46)18(39)8-25(56-14)57-21-10-37(54,22(42)13-58-12-19(35(51)40-11-24(44)45)41-23(43)7-6-17(38)36(52)53)9-16-27(21)34(50)29-28(32(16)48)31(47)15-4-3-5-20(55-2)26(15)33(29)49/h3-5,14,17-19,21,25,30,46,48,50,54H,6-13,38-39H2,1-2H3,(H,40,51)(H,41,43)(H,44,45)(H,52,53)/t14-,17-,18-,19-,21-,25-,30+,37-/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from SR3A cells


Biochem Biophys Res Commun 247: 859-63 (1998)


Article DOI: 10.1006/bbrc.1998.8887
BindingDB Entry DOI: 10.7270/Q2BR8W1J
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098971
PNG
(3-({3-Benzyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1Cc1ccccc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H23N5O4S/c1-14-19(22(32)26-12-11-18(29)30)33-23(28(14)13-15-5-3-2-4-6-15)27-21(31)17-9-7-16(8-10-17)20(24)25/h2-10H,11-13H2,1H3,(H3,24,25)(H,26,32)(H,29,30)/b27-23-
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n/an/a 0.0900n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098965
PNG
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)
Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C
Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-
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n/an/a 0.0900n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098967
PNG
(3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-ethyl-4...)
Show SMILES CCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O
Show InChI InChI=1S/C18H21N5O4S/c1-3-23-10(2)14(17(27)21-9-8-13(24)25)28-18(23)22-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,3,8-9H2,1-2H3,(H3,19,20)(H,21,27)(H,24,25)/b22-18-
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n/an/a 0.120n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of immobilized HUVEC adhesion on fibronectin


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098964
PNG
(3-({3-Butyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-4...)
Show SMILES CCCCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O
Show InChI InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)/b24-20-
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n/an/a 0.130n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50058752
PNG
(CHEMBL3335630)
Show SMILES COCCOCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1 |r,THB:32:33:36:40.38.39,38:37:34:40.39.41,38:39:36.37.42:34,41:39:36:42.33.34,41:33:36:40.38.39|
Show InChI InChI=1S/C41H50N4O3/c1-30-26-44(27-33-7-12-39(42-25-33)29-48-18-17-47-2)15-16-45(30)28-32-3-8-37(9-4-32)40(46)43-38-10-5-31(6-11-38)13-14-41-22-34-19-35(23-41)21-36(20-34)24-41/h3-12,25,30,34-36H,15-24,26-29H2,1-2H3,(H,43,46)/t30-,34?,35?,36?,41?/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098966
PNG
(3-[3-(4-Carbamimidoyl-benzoylamino)-phenyl]-propio...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C17H17N3O3/c18-16(19)12-5-7-13(8-6-12)17(23)20-14-3-1-2-11(10-14)4-9-15(21)22/h1-3,5-8,10H,4,9H2,(H3,18,19)(H,20,23)(H,21,22)
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n/an/a 0.550n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP (2 microM) induced platelet aggregation of human platelet rich plasma


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098969
PNG
(3-[2-(4-Carbamimidoyl-benzoylamino)-4-methyl-thiaz...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)C(N)=N)sc1CCC(O)=O
Show InChI InChI=1S/C15H16N4O3S/c1-8-11(6-7-12(20)21)23-15(18-8)19-14(22)10-4-2-9(3-5-10)13(16)17/h2-5H,6-7H2,1H3,(H3,16,17)(H,20,21)(H,18,19,22)
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n/an/a 0.570n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP (3 microM)induced platelet aggregation of guinea pig platelet rich plasma


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571009
PNG
(CHEMBL4865592)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571017
PNG
(CHEMBL4852684)
Show SMILES CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.760n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571010
PNG
(CHEMBL4848604)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.810n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571019
PNG
(CHEMBL4845957)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.850n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098968
PNG
(3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimet...)
Show SMILES CN(CCC(O)=O)C(=O)c1s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n(C)c1C
Show InChI InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)/b21-18-
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n/an/a 0.890n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of immobilized HUVEC adhesion on fibrinogen


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50058757
PNG
(CHEMBL3335423)
Show SMILES O=C(Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 |THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C36H40N4O/c41-35(33-7-3-28(4-8-33)25-39-14-16-40(17-15-39)26-29-2-1-13-37-24-29)38-34-9-5-27(6-10-34)11-12-36-21-30-18-31(22-36)20-32(19-30)23-36/h1-10,13,24,30-32H,14-23,25-26H2,(H,38,41)
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n/an/a 0.970n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098972
PNG
(3-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-4-me...)
Show SMILES CN(C(=O)c1ccc(cc1)C(N)=N)c1nc(C)c(CCC(O)=O)s1
Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(19-9)20(2)15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)
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Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor


Bioorg Med Chem Lett 11: 1031-5 (2001)


BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571012
PNG
(CHEMBL4867696)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50058753
PNG
(CHEMBL3335427)
Show SMILES COCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1 |r,THB:29:30:33:37.35.36,35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36|
Show InChI InChI=1S/C39H46N4O2/c1-28-24-42(25-31-7-12-37(27-45-2)40-23-31)15-16-43(28)26-30-3-8-35(9-4-30)38(44)41-36-10-5-29(6-11-36)13-14-39-20-32-17-33(21-39)19-34(18-32)22-39/h3-12,23,28,32-34H,15-22,24-27H2,1-2H3,(H,41,44)/t28-,32?,33?,34?,39?/m0/s1
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Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571018
PNG
(CHEMBL4849679)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2cc(F)c(NC(=O)c3cc4C(=O)CCCc4n(-c4ccccc4)c3=O)cc2F)ccn1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571028
PNG
(CHEMBL4853815)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571952
PNG
(CHEMBL4858396)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571017
PNG
(CHEMBL4852684)
Show SMILES CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human Axl expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571025
PNG
(CHEMBL4846932)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571020
PNG
(CHEMBL4867664)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571025
PNG
(CHEMBL4846932)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571021
PNG
(CHEMBL4849099)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571016
PNG
(CHEMBL4864389)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3cc(F)c(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571951
PNG
(CHEMBL4864780)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571011
PNG
(CHEMBL4865438)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50058754
PNG
(CHEMBL3335426)
Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2 |r,THB:31:32:35:39.37.38,37:36:33:39.38.40,37:38:35.36.41:33,40:38:35:41.32.33,40:32:35:39.37.38|
Show InChI InChI=1S/C37H42N4O/c1-27-24-40(25-30-3-2-14-38-23-30)15-16-41(27)26-29-4-8-34(9-5-29)36(42)39-35-10-6-28(7-11-35)12-13-37-20-31-17-32(21-37)19-33(18-31)22-37/h2-11,14,23,27,31-33H,15-22,24-26H2,1H3,(H,39,42)/t27-,31?,32?,33?,37?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571933
PNG
(CHEMBL4878216)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)C3CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571953
PNG
(CHEMBL4860541)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571012
PNG
(CHEMBL4867696)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human Axl expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50058760
PNG
(CHEMBL3335421)
Show SMILES O=C(Nc1ccc(cc1)C#CC1CCCCC1)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
Show InChI InChI=1S/C32H36N4O/c37-32(34-31-16-12-27(13-17-31)9-8-26-5-2-1-3-6-26)30-14-10-28(11-15-30)24-35-19-21-36(22-20-35)25-29-7-4-18-33-23-29/h4,7,10-18,23,26H,1-3,5-6,19-22,24-25H2,(H,34,37)
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Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571017
PNG
(CHEMBL4852684)
Show SMILES CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human Mer expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50058766
PNG
(CHEMBL3335415)
Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H27F3N4O/c1-19-16-32(17-21-3-2-12-30-15-21)13-14-33(19)18-20-4-6-22(7-5-20)25(34)31-24-10-8-23(9-11-24)26(27,28)29/h2-12,15,19H,13-14,16-18H2,1H3,(H,31,34)/t19-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571932
PNG
(CHEMBL4865150)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM142338
PNG
(US8933099, 112)
Show SMILES CCOCCOc1cc2n(ccc2cc1Oc1ccnc(NC(=O)c2ccc(cc2)C2CCN(C[C@H](C)O)CC2)c1)C(=O)NC |r|
Show InChI InChI=1S/C34H41N5O6/c1-4-43-17-18-44-30-21-29-27(12-16-39(29)34(42)35-3)19-31(30)45-28-9-13-36-32(20-28)37-33(41)26-7-5-24(6-8-26)25-10-14-38(15-11-25)22-23(2)40/h5-9,12-13,16,19-21,23,25,40H,4,10-11,14-15,17-18,22H2,1-3H3,(H,35,42)(H,36,37,41)/t23-/m0/s1
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n/an/a 3.40n/an/an/an/an/a25



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR1 protein is measured.To each well of a flat b...


US Patent US8933099 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571945
PNG
(CHEMBL4866147)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CCN(CC4CC4)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571022
PNG
(CHEMBL4864028)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(O)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571943
PNG
(CHEMBL4848465)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCN(C)CC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM142348
PNG
(US8933099, 114)
Show SMILES CCOCCOc1cc2n(ccc2cc1Oc1ccnc(NC(=O)c2ccc(cc2)C2CCN(C)CC2)c1)C(=O)NC
Show InChI InChI=1S/C32H37N5O5/c1-4-40-17-18-41-28-21-27-25(12-16-37(27)32(39)33-2)19-29(28)42-26-9-13-34-30(20-26)35-31(38)24-7-5-22(6-8-24)23-10-14-36(3)15-11-23/h5-9,12-13,16,19-21,23H,4,10-11,14-15,17-18H2,1-3H3,(H,33,39)(H,34,35,38)
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US Patent
n/an/a 3.70n/an/an/an/an/a25



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR1 protein is measured.To each well of a flat b...


US Patent US8933099 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571947
PNG
(CHEMBL4850929)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CN(C)C3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM142347
PNG
(US8933099, 109)
Show SMILES CCOCCOc1cc2n(ccc2cc1Oc1ccnc(NC(=O)c2ccc(cc2)C2CCN(CC(C)(C)O)CC2)c1)C(=O)NC
Show InChI InChI=1S/C35H43N5O6/c1-5-44-18-19-45-30-22-29-27(13-17-40(29)34(42)36-4)20-31(30)46-28-10-14-37-32(21-28)38-33(41)26-8-6-24(7-9-26)25-11-15-39(16-12-25)23-35(2,3)43/h6-10,13-14,17,20-22,25,43H,5,11-12,15-16,18-19,23H2,1-4H3,(H,36,42)(H,37,38,41)
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n/an/a 3.90n/an/an/an/an/a25



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR1 protein is measured.To each well of a flat b...


US Patent US8933099 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571933
PNG
(CHEMBL4878216)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)C3CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a<4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mer (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571019
PNG
(CHEMBL4845957)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a<4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Mer using biotinylated peptide as substrate incubated for 1 hr by TR-FRET analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571932
PNG
(CHEMBL4865150)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a<4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mer (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
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