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Compile Data Set for Download or QSAR

Found 91 hits from Beijing Institute of Pharmacology& Toxicology   
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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50098349
PNG
(CHEMBL3594383)
Show SMILES OC(=O)CCCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-2-8-5-13-6-9(8)3-10-4-11-7-12-10/h4-7H,2-3H2,1H3,(H,11,12)
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n/an/a 98n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50098332
PNG
(CHEMBL3594381)
Show SMILES OC(=O)CCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-7-3-9(8(2)13-7)4-10-5-11-6-12-10/h3,5-6H,4H2,1-2H3,(H,11,12)
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n/an/a 220n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50098348
PNG
(CHEMBL3594384)
Show SMILES OC(=O)CCCCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-2-10-8(3-4-13-10)5-9-6-11-7-12-9/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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n/an/a 250n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50098331
PNG
(CHEMBL3594382)
Show SMILES OC(=O)CCCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C12H16N2S/c1-3-11-6-9(12(4-2)15-11)5-10-7-13-8-14-10/h6-8H,3-5H2,1-2H3,(H,13,14)
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n/an/a 320n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50098333
PNG
(CHEMBL3594380)
Show SMILES OC(=O)CCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(7-15-12)5-10-6-13-8-14-10/h1-4,6-8H,5H2,(H,13,14)
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n/an/a 600n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176799
PNG
(CHEMBL3808617)
Show SMILES COc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H20N4O2/c1-24-14-9-7-13(8-10-14)20-18-21-16-6-3-2-5-15(16)17(22-18)19-11-4-12-23/h2-3,5-10,23H,4,11-12H2,1H3,(H2,19,20,21,22)
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n/an/a 680n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50098335
PNG
(CHEMBL3594379)
Show SMILES OC(=O)COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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n/an/a 820n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176800
PNG
(CHEMBL3809956)
Show SMILES COc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H22N4O/c1-25-16-12-10-15(11-13-16)22-20-23-18-9-5-4-8-17(18)19(24-20)21-14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H2,21,22,23,24)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176760
PNG
(CHEMBL3809304)
Show SMILES COc1ccc(cc1)N(C)c1nc(NC2CCCC2)c2ccccc2n1
Show InChI InChI=1S/C21H24N4O/c1-25(16-11-13-17(26-2)14-12-16)21-23-19-10-6-5-9-18(19)20(24-21)22-15-7-3-4-8-15/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,22,23,24)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176787
PNG
(CHEMBL3808937)
Show SMILES Oc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O/c24-15-11-9-14(10-12-15)21-19-22-17-8-4-3-7-16(17)18(23-19)20-13-5-1-2-6-13/h3-4,7-13,24H,1-2,5-6H2,(H2,20,21,22,23)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176789
PNG
(CHEMBL3809769)
Show SMILES OCCCNc1nc(Nc2ccc(cc2)C#N)nc2ccccc12
Show InChI InChI=1S/C18H17N5O/c19-12-13-6-8-14(9-7-13)21-18-22-16-5-2-1-4-15(16)17(23-18)20-10-3-11-24/h1-2,4-9,24H,3,10-11H2,(H2,20,21,22,23)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176780
PNG
(CHEMBL3808931)
Show SMILES CCCNc1nc(nc2ccccc12)N(C)c1ccc(OC)cc1
Show InChI InChI=1S/C19H22N4O/c1-4-13-20-18-16-7-5-6-8-17(16)21-19(22-18)23(2)14-9-11-15(24-3)12-10-14/h5-12H,4,13H2,1-3H3,(H,20,21,22)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176779
PNG
(CHEMBL3809339)
Show SMILES COc1ccc(cc1)N(C)c1nc(NCCCO)c2ccccc2n1
Show InChI InChI=1S/C19H22N4O2/c1-23(14-8-10-15(25-2)11-9-14)19-21-17-7-4-3-6-16(17)18(22-19)20-12-5-13-24/h3-4,6-11,24H,5,12-13H2,1-2H3,(H,20,21,22)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176796
PNG
(CHEMBL3808513)
Show SMILES COc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-24-15-8-6-14(7-9-15)20-19-21-17-5-3-2-4-16(17)18(22-19)23-10-12-25-13-11-23/h2-9H,10-13H2,1H3,(H,20,21,22)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50421320
PNG
(CHEMBL2088175)
Show SMILES [O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H7ClN4O4/c14-10-5-11(13(18(21)22)6-12(10)17(19)20)16-9-3-1-8(7-15)2-4-9/h1-6,16H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Mer


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176797
PNG
(CHEMBL3809699)
Show SMILES CNc1nc(Nc2ccc(OC)cc2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O/c1-17-15-13-5-3-4-6-14(13)19-16(20-15)18-11-7-9-12(21-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,20)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50421321
PNG
(CHEMBL2088176)
Show SMILES [O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H6ClN3O5/c14-10-5-13(12(17(20)21)6-11(10)16(18)19)22-9-3-1-8(7-15)2-4-9/h1-6H
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n/an/a 2.40E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Mer


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023611
PNG
(CHEMBL2380932)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C186H283N51O64S/c1-18-88(12)148(182(298)218-113(47-58-145(262)263)160(276)211-112(46-57-144(260)261)164(280)231-129(80-238)179(295)216-107(41-52-135(191)247)161(277)226-125(73-137(193)249)171(287)214-106(40-51-134(190)246)157(273)207-104(38-49-132(188)244)155(271)209-108(42-53-140(252)253)158(274)205-102(32-25-26-61-187)154(270)225-124(72-136(192)248)172(288)215-109(43-54-141(254)255)159(275)208-105(39-50-133(189)245)156(272)210-110(44-55-142(256)257)162(278)220-117(65-85(6)7)167(283)219-116(152(196)268)64-84(4)5)235-176(292)118(66-86(8)9)221-180(296)130(81-239)232-170(286)123(71-96-79-199-83-203-96)229-183(299)150(90(14)20-3)236-177(293)119(67-87(10)11)222-181(297)131(82-240)233-185(301)151(91(15)241)237-178(294)120(68-93-34-36-97(243)37-35-93)223-173(289)126(74-138(194)250)227-174(290)127(75-139(195)251)230-184(300)149(89(13)19-2)234-166(282)114(48-59-146(264)265)213-153(269)103(33-27-62-200-186(197)198)206-175(291)128(76-147(266)267)228-169(285)122(70-95-78-202-101-31-24-22-29-99(95)101)224-163(279)111(45-56-143(258)259)212-165(281)115(60-63-302-17)217-168(284)121(204-92(16)242)69-94-77-201-100-30-23-21-28-98(94)100/h21-24,28-31,34-37,77-79,83-91,102-131,148-151,201-202,238-241,243H,18-20,25-27,32-33,38-76,80-82,187H2,1-17H3,(H2,188,244)(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H2,195,251)(H2,196,268)(H,199,203)(H,204,242)(H,205,274)(H,206,291)(H,207,273)(H,208,275)(H,209,271)(H,210,272)(H,211,276)(H,212,281)(H,213,269)(H,214,287)(H,215,288)(H,216,295)(H,217,284)(H,218,298)(H,219,283)(H,220,278)(H,221,296)(H,222,297)(H,223,289)(H,224,279)(H,225,270)(H,226,277)(H,227,290)(H,228,285)(H,229,299)(H,230,300)(H,231,280)(H,232,286)(H,233,301)(H,234,282)(H,235,292)(H,236,293)(H,237,294)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,200)/t88-,89-,90-,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,148-,149-,150-,151-/m0/s1
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n/an/a 2.84E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
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n/an/a 2.90E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176788
PNG
(CHEMBL3809150)
Show SMILES OC(=O)c1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H20N4O2/c25-19(26)13-9-11-15(12-10-13)22-20-23-17-8-4-3-7-16(17)18(24-20)21-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,25,26)(H2,21,22,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50421322
PNG
(CHEMBL2088178)
Show SMILES COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O4/c1-18-8-2-4-9(5-3-8)19-12-10(15(16)17)6-7-11(13)14-12/h2-7H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Mer


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 25: 2778-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.016
BindingDB Entry DOI: 10.7270/Q29W0H85
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176798
PNG
(CHEMBL3810139)
Show SMILES CCCNc1nc(Nc2ccc(OC)cc2)nc2ccccc12
Show InChI InChI=1S/C18H20N4O/c1-3-12-19-17-15-6-4-5-7-16(15)21-18(22-17)20-13-8-10-14(23-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,19,20,21,22)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176795
PNG
(CHEMBL3809606)
Show SMILES COc1ccc(Nc2nc(NC3CC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c1-23-14-10-8-13(9-11-14)20-18-21-16-5-3-2-4-15(16)17(22-18)19-12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H2,19,20,21,22)
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n/an/a 3.56E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176786
PNG
(CHEMBL3808518)
Show SMILES Fc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H19FN4/c20-13-9-11-15(12-10-13)22-19-23-17-8-4-3-7-16(17)18(24-19)21-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H2,21,22,23,24)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176785
PNG
(CHEMBL3809070)
Show SMILES Nc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H21N5/c20-13-9-11-15(12-10-13)22-19-23-17-8-4-3-7-16(17)18(24-19)21-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6,20H2,(H2,21,22,23,24)
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n/an/a 7.27E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176792
PNG
(CHEMBL3808665)
Show SMILES CCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C17H17FN4/c1-2-11-19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,22)
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n/an/a 7.84E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023612
PNG
(CHEMBL3341852)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)nn1)C(N)=O
Show InChI InChI=1S/C177H280N44O56/c1-22-89(13)142(216-163(267)112(68-86(7)8)206-167(271)121(80-223)214-158(262)115(71-94-76-188-83-191-94)212-170(274)143(90(14)23-2)217-164(268)113(69-87(9)10)207-168(272)122(81-224)215-171(275)144(91(15)225)218-165(269)114(70-93-30-32-96(227)33-31-93)208-162(266)119(75-133(186)236)211-159(263)116(72-130(183)233)192-92(16)226)169(273)203-109(43-53-140(247)248)153(257)199-108(42-52-139(245)246)156(260)213-120(79-222)166(270)202-104(38-48-129(182)232)154(258)210-118(74-132(185)235)160(264)200-103(37-47-128(181)231)150(254)195-101(35-45-126(179)229)148(252)197-105(39-49-136(239)240)151(255)194-100(29-24-26-63-178)147(251)209-117(73-131(184)234)161(265)201-106(40-50-137(241)242)152(256)196-102(36-46-127(180)230)149(253)198-107(41-51-138(243)244)155(259)205-111(67-85(5)6)157(261)204-110(66-84(3)4)146(250)190-65-57-134(237)193-99(145(187)249)28-25-27-64-189-135(238)78-221-77-95(219-220-221)82-277-172(276)177-60-54-97(88(11)12)141(177)98-34-44-124-174(19)58-56-125(228)173(17,18)123(174)55-59-176(124,21)175(98,20)61-62-177/h30-33,76-77,83-87,89-91,97-125,141-144,222-225,227-228H,11,22-29,34-75,78-82,178H2,1-10,12-21H3,(H2,179,229)(H2,180,230)(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,249)(H,188,191)(H,189,238)(H,190,250)(H,192,226)(H,193,237)(H,194,255)(H,195,254)(H,196,256)(H,197,252)(H,198,253)(H,199,257)(H,200,264)(H,201,265)(H,202,270)(H,203,273)(H,204,261)(H,205,259)(H,206,271)(H,207,272)(H,208,266)(H,209,251)(H,210,258)(H,211,263)(H,212,274)(H,213,260)(H,214,262)(H,215,275)(H,216,267)(H,217,268)(H,218,269)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)/t89-,90-,91+,97-,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,141+,142-,143-,144-,174-,175+,176+,177-/m0/s1
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n/an/a 8.31E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023613
PNG
(CHEMBL3341853)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1S/C179H282N44O57/c1-22-90(13)144(218-165(269)113(70-87(7)8)208-169(273)122(82-225)216-160(264)116(73-96-78-190-84-193-96)214-172(276)145(91(14)23-2)219-166(270)114(71-88(9)10)209-170(274)123(83-226)217-173(277)146(92(15)227)220-167(271)115(72-94-30-33-97(229)34-31-94)210-164(268)120(77-134(188)237)213-161(265)117(74-131(185)234)194-93(16)228)171(275)205-110(44-54-141(248)249)155(259)201-109(43-53-140(246)247)158(262)215-121(81-224)168(272)204-105(39-49-130(184)233)156(260)212-119(76-133(187)236)162(266)202-104(38-48-129(183)232)152(256)197-102(36-46-127(181)230)150(254)199-106(40-50-137(240)241)153(257)196-101(29-24-26-65-180)149(253)211-118(75-132(186)235)163(267)203-107(41-51-138(242)243)154(258)198-103(37-47-128(182)231)151(255)200-108(42-52-139(244)245)157(261)207-112(69-86(5)6)159(263)206-111(68-85(3)4)148(252)192-67-59-135(238)195-100(147(189)251)28-25-27-66-191-136(239)80-223-79-95(221-222-223)32-55-142(250)280-126-58-60-176(19)124(175(126,17)18)57-61-178(21)125(176)45-35-99-143-98(89(11)12)56-62-179(143,174(278)279)64-63-177(99,178)20/h30-31,33-34,78-79,84-88,90-92,98-126,143-146,224-227,229H,11,22-29,32,35-77,80-83,180H2,1-10,12-21H3,(H2,181,230)(H2,182,231)(H2,183,232)(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,251)(H,190,193)(H,191,239)(H,192,252)(H,194,228)(H,195,238)(H,196,257)(H,197,256)(H,198,258)(H,199,254)(H,200,255)(H,201,259)(H,202,266)(H,203,267)(H,204,272)(H,205,275)(H,206,263)(H,207,261)(H,208,273)(H,209,274)(H,210,268)(H,211,253)(H,212,260)(H,213,265)(H,214,276)(H,215,262)(H,216,264)(H,217,277)(H,218,269)(H,219,270)(H,220,271)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,278,279)/t90-,91-,92+,98-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,143+,144-,145-,146-,176-,177+,178+,179-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.31E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023610
PNG
(CHEMBL3341857)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1S/C182H286N44O57/c1-23-70-282-176(281)182-65-63-177(16,17)81-102(182)101-37-47-128-179(20)61-59-129(178(18,19)127(179)58-62-181(128,22)180(101,21)64-66-182)283-145(253)57-34-98-83-226(225-224-98)84-139(242)194-68-29-27-30-103(149(192)254)198-138(241)60-69-195-150(255)114(71-89(4)5)209-161(266)115(72-90(6)7)210-159(264)111(44-54-142(247)248)203-153(258)106(39-49-131(185)234)201-156(261)110(43-53-141(245)246)206-165(270)121(78-135(189)238)214-151(256)104(31-26-28-67-183)199-155(260)109(42-52-140(243)244)202-152(257)105(38-48-130(184)233)200-154(259)107(40-50-132(186)235)205-164(269)122(79-136(190)239)215-158(263)108(41-51-133(187)236)207-170(275)124(85-227)218-160(265)112(45-55-143(249)250)204-157(262)113(46-56-144(251)252)208-173(278)146(93(12)24-2)221-167(272)116(73-91(8)9)211-171(276)125(86-228)219-162(267)119(76-99-82-193-88-196-99)217-174(279)147(94(13)25-3)222-168(273)117(74-92(10)11)212-172(277)126(87-229)220-175(280)148(95(14)230)223-169(274)118(75-97-32-35-100(232)36-33-97)213-166(271)123(80-137(191)240)216-163(268)120(77-134(188)237)197-96(15)231/h23,32-33,35-37,82-83,88-95,102-129,146-148,227-230,232H,1,24-31,34,38-81,84-87,183H2,2-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146-,147-,148-,179-,180+,181+,182-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.31E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023609
PNG
(CHEMBL3341856)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1S/C182H286N44O57/c1-23-70-282-177(281)182-64-58-94(14)95(15)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-99-82-226(225-224-99)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(92(12)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-100-81-193-87-196-100)217-175(279)148(93(13)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(96(16)230)223-170(274)118(75-98-32-35-101(232)36-33-98)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-97(17)231/h23,32-33,35-37,81-82,87-96,103-129,146-149,227-230,232H,1,24-31,34,38-80,83-86,183H2,2-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t92-,93-,94+,95-,96+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146-,147-,148-,149-,179-,180+,181+,182-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.31E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023608
PNG
(CHEMBL3341855)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(COC(=O)[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)nn1)C(N)=O
Show InChI InChI=1S/C179H282N44O57/c1-23-90(13)144(218-165(269)114(69-87(7)8)208-169(273)123(81-225)216-160(264)117(72-96-77-190-84-193-96)214-172(276)145(91(14)24-2)219-166(270)115(70-88(9)10)209-170(274)124(82-226)217-173(277)146(92(15)227)220-167(271)116(71-95-31-33-98(230)34-32-95)210-164(268)121(76-135(188)238)213-161(265)118(73-132(185)235)194-93(16)228)171(275)205-111(44-54-142(249)250)155(259)201-110(43-53-141(247)248)158(262)215-122(80-224)168(272)204-106(39-49-131(184)234)156(260)212-120(75-134(187)237)162(266)202-105(38-48-130(183)233)152(256)197-103(36-46-128(181)231)150(254)199-107(40-50-138(241)242)153(257)196-102(30-25-27-64-180)149(253)211-119(74-133(186)236)163(267)203-108(41-51-139(243)244)154(258)198-104(37-47-129(182)232)151(255)200-109(42-52-140(245)246)157(261)207-113(68-86(5)6)159(263)206-112(67-85(3)4)148(252)192-66-58-136(239)195-101(147(189)251)29-26-28-65-191-137(240)79-223-78-97(221-222-223)83-279-174(278)179-61-55-99(89(11)12)143(179)100-35-45-126-176(20)59-57-127(280-94(17)229)175(18,19)125(176)56-60-178(126,22)177(100,21)62-63-179/h31-34,77-78,84-88,90-92,99-127,143-146,224-227,230H,11,23-30,35-76,79-83,180H2,1-10,12-22H3,(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H2,185,235)(H2,186,236)(H2,187,237)(H2,188,238)(H2,189,251)(H,190,193)(H,191,240)(H,192,252)(H,194,228)(H,195,239)(H,196,257)(H,197,256)(H,198,258)(H,199,254)(H,200,255)(H,201,259)(H,202,266)(H,203,267)(H,204,272)(H,205,275)(H,206,263)(H,207,261)(H,208,273)(H,209,274)(H,210,268)(H,211,253)(H,212,260)(H,213,265)(H,214,276)(H,215,262)(H,216,264)(H,217,277)(H,218,269)(H,219,270)(H,220,271)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)/t90-,91-,92+,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,143+,144-,145-,146-,176-,177+,178+,179-/m0/s1
PDB

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.31E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
GP41


(Human immunodeficiency virus 1)
BDBM50023614
PNG
(CHEMBL3341854)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)Cn1cc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(=O)OCC=C)C(C)=C)C2(C)C)nn1)C(N)=O
Show InChI InChI=1S/C182H286N44O57/c1-23-70-282-177(281)182-64-58-101(92(12)13)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-98-82-226(225-224-98)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(93(14)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-99-81-193-87-196-99)217-175(279)148(94(15)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(95(16)230)223-170(274)118(75-97-32-35-100(232)36-33-97)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-96(17)231/h23,32-33,35-36,81-82,87-91,93-95,101-129,146-149,227-230,232H,1,12,24-31,34,37-80,83-86,183H2,2-11,13-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,146+,147-,148-,149-,179-,180+,181+,182-/m0/s1
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n/an/a 8.31E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay


J Med Chem 57: 7342-54 (2014)


Article DOI: 10.1021/jm500763m
BindingDB Entry DOI: 10.7270/Q2GF0W3J
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50421320
PNG
(CHEMBL2088175)
Show SMILES [O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H7ClN4O4/c14-10-5-11(13(18(21)22)6-12(10)17(19)20)16-9-3-1-8(7-15)2-4-9/h1-6,16H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Axl


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50421322
PNG
(CHEMBL2088178)
Show SMILES COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O4/c1-18-8-2-4-9(5-3-8)19-12-10(15(16)17)6-7-11(13)14-12/h2-7H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Axl


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176781
PNG
(CHEMBL3810009)
Show SMILES CNc1nc(nc2ccccc12)N(C)c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N4O/c1-18-16-14-6-4-5-7-15(14)19-17(20-16)21(2)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3,(H,18,19,20)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Mer kinase (588 to 855 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells measured every mi...


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176784
PNG
(CHEMBL3809906)
Show SMILES N#Cc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H19N5/c21-13-14-9-11-16(12-10-14)23-20-24-18-8-4-3-7-17(18)19(25-20)22-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6H2,(H2,22,23,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176790
PNG
(CHEMBL3809359)
Show SMILES Nc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1
Show InChI InChI=1S/C17H19N5O/c18-12-6-8-13(9-7-12)20-17-21-15-5-2-1-4-14(15)16(22-17)19-10-3-11-23/h1-2,4-9,23H,3,10-11,18H2,(H2,19,20,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176791
PNG
(CHEMBL3810214)
Show SMILES OCCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C17H17FN4O/c18-12-6-8-13(9-7-12)20-17-21-15-5-2-1-4-14(15)16(22-17)19-10-3-11-23/h1-2,4-9,23H,3,10-11H2,(H2,19,20,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176793
PNG
(CHEMBL1623086)
Show SMILES Fc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H17FN4O/c19-13-5-7-14(8-6-13)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50421321
PNG
(CHEMBL2088176)
Show SMILES [O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H6ClN3O5/c14-10-5-13(12(17(20)21)6-11(10)16(18)19)22-9-3-1-8(7-15)2-4-9/h1-6H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Axl


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50421320
PNG
(CHEMBL2088175)
Show SMILES [O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H7ClN4O4/c14-10-5-11(13(18(21)22)6-12(10)17(19)20)16-9-3-1-8(7-15)2-4-9/h1-6,16H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Tyro3


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50421321
PNG
(CHEMBL2088176)
Show SMILES [O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H6ClN3O5/c14-10-5-13(12(17(20)21)6-11(10)16(18)19)22-9-3-1-8(7-15)2-4-9/h1-6H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Tyro3


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50421322
PNG
(CHEMBL2088178)
Show SMILES COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H9ClN2O4/c1-18-8-2-4-9(5-3-8)19-12-10(15(16)17)6-7-11(13)14-12/h2-7H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Tyro3


Bioorg Med Chem Lett 22: 6224-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI: 10.7270/Q2M046QM
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176783
PNG
(CHEMBL3809195)
Show SMILES COc1ccc(cc1)N(C)c1nc(NCC2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C22H26N4O2/c1-26(17-7-9-18(27-2)10-8-17)22-24-20-6-4-3-5-19(20)21(25-22)23-15-16-11-13-28-14-12-16/h3-10,16H,11-15H2,1-2H3,(H,23,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176782
PNG
(CHEMBL3808451)
Show SMILES COc1ccc(cc1)N(C)c1nc(N2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C20H22N4O2/c1-23(15-7-9-16(25-2)10-8-15)20-21-18-6-4-3-5-17(18)19(22-20)24-11-13-26-14-12-24/h3-10H,11-14H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50176794
PNG
(CHEMBL3810240)
Show SMILES Nc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H19N5O/c19-13-5-7-14(8-6-13)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-24-12-10-23/h1-8H,9-12,19H2,(H,20,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Beijing Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method


Bioorg Med Chem 24: 3083-3092 (2016)


Article DOI: 10.1016/j.bmc.2016.05.025
BindingDB Entry DOI: 10.7270/Q23B621J
More data for this
Ligand-Target Pair
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