Found 43 hits of ki for UniProtKB: P29317 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538252
(CHEMBL4642167)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)CNC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)C2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)N)C(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)NCC(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N1)c3)C(C)C |r| Show InChI InChI=1S/C114H152N30O24S3/c1-59(2)93-109(164)135-79(45-89(116)145)101(156)129-74(26-14-32-121-114(118)119)110(165)141-34-16-27-84(141)104(159)124-50-90(146)128-81(103(158)127-62(6)95(117)150)55-169-52-64-38-65-40-66(39-64)54-171-57-83(137-107(162)87-30-19-37-144(87)113(168)94(60(3)4)139-102(157)80(46-92(148)149)132-100(155)78(130-96(151)61(5)115)44-69-49-120-58-126-69)112(167)142-35-17-29-86(142)106(161)134-76(42-67-47-122-72-24-12-10-22-70(67)72)97(152)125-51-91(147)140-33-15-28-85(140)105(160)133-75(41-63-20-8-7-9-21-63)98(153)131-77(43-68-48-123-73-25-13-11-23-71(68)73)99(154)136-82(56-170-53-65)111(166)143-36-18-31-88(143)108(163)138-93/h7-13,20-25,38-40,47-49,58-62,74-88,93-94,122-123H,14-19,26-37,41-46,50-57,115H2,1-6H3,(H2,116,145)(H2,117,150)(H,120,126)(H,124,159)(H,125,152)(H,127,158)(H,128,146)(H,129,156)(H,130,151)(H,131,153)(H,132,155)(H,133,160)(H,134,161)(H,135,164)(H,136,154)(H,137,162)(H,138,163)(H,139,157)(H,148,149)(H4,118,119,121)/t61-,62-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87?,88-,93-,94-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538266
(CHEMBL4649686)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C111H162N28O26S3/c1-58(2)44-71-96(151)128-78-53-167-42-35-86(144)135-55-134(56-136(57-135)87(145)36-43-168-54-79(130-97(152)75(49-88(146)147)124-95(150)70(122-94(149)62(9)112)30-20-37-117-111(115)116)109(164)138-39-23-33-82(138)105(160)126-73(46-60(5)6)98(153)131-90(61(7)8)106(161)127-76(48-83(113)141)108(163)137-38-22-32-81(137)104(159)125-71)85(143)34-41-166-52-77(101(156)120-63(10)93(114)148)129-107(162)91(64(11)140)132-100(155)74(47-67-50-118-69-29-19-18-28-68(67)69)121-84(142)51-119-103(158)80-31-21-40-139(80)110(165)92(133-99(154)72(45-59(3)4)123-102(78)157)89(65-24-14-12-15-25-65)66-26-16-13-17-27-66/h12-19,24-29,50,58-64,70-82,89-92,118,140H,20-23,30-49,51-57,112H2,1-11H3,(H2,113,141)(H2,114,148)(H,119,158)(H,120,156)(H,121,142)(H,122,149)(H,123,157)(H,124,150)(H,125,159)(H,126,160)(H,127,161)(H,128,151)(H,129,162)(H,130,152)(H,131,153)(H,132,155)(H,133,154)(H,146,147)(H4,115,116,117)/t62-,63-,64+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91-,92-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538258
(CHEMBL4641389)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])C[C@H](O)CN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](C)N)C(C)C |r| Show InChI InChI=1S/C108H167N33O28S3/c1-54(2)35-67-92(155)130-73(39-61-45-116-50-120-61)104(167)139-30-17-24-79(139)101(164)129-72(43-86(149)150)95(158)125-70(38-60-44-119-64-20-12-11-19-63(60)64)94(157)123-66(22-14-16-29-118-108(114)115)91(154)132-75(98(161)121-59(10)88(111)151)47-170-32-25-82(144)136-51-137-53-138(52-136)84(146)27-34-172-49-77(134-96(159)71(42-85(147)148)126-90(153)65(122-89(152)58(9)109)21-13-15-28-117-107(112)113)106(169)141-46-62(142)40-80(141)102(165)128-69(37-56(5)6)97(160)135-87(57(7)8)103(166)131-74(41-81(110)143)105(168)140-31-18-23-78(140)100(163)127-68(36-55(3)4)93(156)133-76(99(162)124-67)48-171-33-26-83(137)145/h11-12,19-20,44-45,50,54-59,62,65-80,87,119,142H,13-18,21-43,46-49,51-53,109H2,1-10H3,(H2,110,143)(H2,111,151)(H,116,120)(H,121,161)(H,122,152)(H,123,157)(H,124,162)(H,125,158)(H,126,153)(H,127,163)(H,128,165)(H,129,164)(H,130,155)(H,131,166)(H,132,154)(H,133,156)(H,134,159)(H,135,160)(H,147,148)(H,149,150)(H4,112,113,117)(H4,114,115,118)/t58-,59-,62-,65-,66-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,87-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538238
(CHEMBL4642849)Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(=O)CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCc2cc3CSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)C(C)(C)NC1=O)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C147H205N37O35S3/c1-83(2)124(168-133(209)102(63-123(200)201)160-130(206)99(60-92-64-153-82-156-92)157-111(187)66-173(11)115(191)69-176(14)116(192)70-174(12)113(189)67-172(10)68-114(190)175(13)71-117(193)177(15)72-118(194)178(16)73-119(195)179(17)74-120(196)180(18)75-121(197)181(19)112(188)48-49-148)141(217)184-53-33-46-107(184)136(212)164-104-80-221-77-86-54-85-55-87(56-86)78-222-81-105(140(216)183-52-32-47-108(183)137(213)169-125(145(3,4)5)138(214)162-100(61-109(149)185)131(207)158-95(44-27-28-50-154-144(151)152)139(215)182-51-31-45-106(182)135(211)161-101(62-122(198)199)132(208)163-103(126(150)202)79-220-76-85)165-129(205)98(59-91-41-30-39-89-37-24-26-43-94(89)91)159-128(204)96(57-84-34-21-20-22-35-84)166-142(218)146(6,7)170-110(186)65-155-127(203)97(167-143(219)147(8,9)171-134(104)210)58-90-40-29-38-88-36-23-25-42-93(88)90/h20-26,29-30,34-43,54-56,64,82-83,95-108,124-125H,27-28,31-33,44-53,57-63,65-81,148H2,1-19H3,(H2,149,185)(H2,150,202)(H,153,156)(H,155,203)(H,157,187)(H,158,207)(H,159,204)(H,160,206)(H,161,211)(H,162,214)(H,163,208)(H,164,212)(H,165,205)(H,166,218)(H,167,219)(H,168,209)(H,169,213)(H,170,186)(H,171,210)(H,198,199)(H,200,201)(H4,151,152,154)/t95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105-,106-,107-,108-,124-,125+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538270
(CHEMBL4634220)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3C[C@H](O)C[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C102H156N30O27S3/c1-50(2)31-63-87(145)120-68(35-58-40-108-46-112-58)99(157)130-26-15-20-73(130)94(152)111-41-77(136)114-66(34-57-39-110-61-18-13-12-17-60(57)61)91(149)126-83(56(11)133)98(156)123-70(92(150)113-55(10)84(105)142)43-160-28-22-78(137)127-47-128-49-129(48-127)80(139)24-30-162-45-72(124-89(147)67(38-81(140)141)117-86(144)62(115-85(143)54(9)103)19-14-25-109-102(106)107)101(159)132-42-59(134)36-75(132)96(154)119-65(33-52(5)6)90(148)125-82(53(7)8)97(155)121-69(37-76(104)135)100(158)131-27-16-21-74(131)95(153)118-64(32-51(3)4)88(146)122-71(93(151)116-63)44-161-29-23-79(128)138/h12-13,17-18,39-40,46,50-56,59,62-75,82-83,110,133-134H,14-16,19-38,41-45,47-49,103H2,1-11H3,(H2,104,135)(H2,105,142)(H,108,112)(H,111,152)(H,113,150)(H,114,136)(H,115,143)(H,116,151)(H,117,144)(H,118,153)(H,119,154)(H,120,145)(H,121,155)(H,122,146)(H,123,156)(H,124,147)(H,125,148)(H,126,149)(H,140,141)(H4,106,107,109)/t54-,55-,56+,59+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538273
(CHEMBL4634551)Show SMILES [H][C@]12O[C@]1(C)[C@@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@H](OC)[C@]3(O)C[C@@]([H])(OC(=O)N3)[C@@H]2C)cc(OC)c1Cl)OC(=O)[C@@H](C)N(C)C(=O)CCSSCCCC(=O)NCCC(=O)N(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]2([H])CCCN2C1=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC1CCc2ccccc12)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O |r,t:17,19| Show InChI InChI=1S/C177H270ClN45O48S5/c1-97(2)66-112-158(250)199-118(73-108-79-185-93-189-108)169(261)221-58-34-44-124(221)167(259)198-117(76-150(244)245)161(253)194-115(72-107-49-48-106-39-28-29-40-109(106)107)160(252)192-110(41-30-31-55-187-173(181)182)157(249)201-120(154(180)246)90-272-62-51-136(229)218-94-219-96-220(95-218)138(231)53-64-274-92-122(171(263)223-60-36-45-125(223)166(258)197-114(68-99(5)6)163(255)204-152(100(7)8)168(260)200-119(74-131(179)224)170(262)222-59-35-43-123(222)165(257)196-113(67-98(3)4)159(251)202-121(164(256)193-112)91-273-63-52-137(219)230)203-162(254)116(75-149(242)243)195-156(248)111(42-33-56-188-174(183)184)191-155(247)103(11)190-133(226)80-207(15)142(235)83-210(18)143(236)84-208(16)140(233)81-206(14)82-141(234)209(17)85-144(237)211(19)86-145(238)212(20)87-146(239)213(21)88-147(240)214(22)89-148(241)217(25)134(227)50-57-186-132(225)47-37-61-275-276-65-54-135(228)215(23)104(12)172(264)270-130-77-139(232)216(24)126-70-105(71-127(267-26)151(126)178)69-101(9)38-32-46-129(268-27)177(266)78-128(269-175(265)205-177)102(10)153-176(130,13)271-153/h28-29,32,38-40,46,70-71,79,93,97-100,102-104,107,110-125,128-130,152-153,266H,30-31,33-37,41-45,47-69,72-78,80-92,94-96H2,1-27H3,(H2,179,224)(H2,180,246)(H,185,189)(H,186,225)(H,190,226)(H,191,247)(H,192,252)(H,193,256)(H,194,253)(H,195,248)(H,196,257)(H,197,258)(H,198,259)(H,199,250)(H,200,260)(H,201,249)(H,202,251)(H,203,254)(H,204,255)(H,205,265)(H,242,243)(H,244,245)(H4,181,182,187)(H4,183,184,188)/b46-32+,101-38+/t102-,103-,104+,107?,110?,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,121-,122-,123-,124-,125-,128+,129-,130+,152-,153+,176+,177+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538264
(CHEMBL4636597)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](C)NC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C103H158N30O26S3/c1-51(2)35-64-88(145)121-69(39-60-43-109-47-112-60)100(157)131-29-16-22-74(131)95(152)114-57(11)86(143)116-67(38-59-42-111-62-20-14-13-19-61(59)62)92(149)127-83(58(12)134)99(156)124-71(93(150)113-56(10)84(106)141)44-160-32-25-78(136)128-48-129-50-130(49-128)80(138)27-34-162-46-73(125-90(147)68(41-81(139)140)118-87(144)63(115-85(142)55(9)104)21-15-28-110-103(107)108)102(159)133-31-18-24-76(133)97(154)120-66(37-53(5)6)91(148)126-82(54(7)8)98(155)122-70(40-77(105)135)101(158)132-30-17-23-75(132)96(153)119-65(36-52(3)4)89(146)123-72(94(151)117-64)45-161-33-26-79(129)137/h13-14,19-20,42-43,47,51-58,63-76,82-83,111,134H,15-18,21-41,44-46,48-50,104H2,1-12H3,(H2,105,135)(H2,106,141)(H,109,112)(H,113,150)(H,114,152)(H,115,142)(H,116,143)(H,117,151)(H,118,144)(H,119,153)(H,120,154)(H,121,145)(H,122,155)(H,123,146)(H,124,156)(H,125,147)(H,126,148)(H,127,149)(H,139,140)(H4,107,108,110)/t55-,56-,57+,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-,83-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538274
(CHEMBL4637644)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC1CCc2ccccc12)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(=O)CCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(C)C |r| Show InChI InChI=1S/C154H243N45O45S3/c1-88(2)58-99-139(230)174-105(62-95-66-161-84-164-95)150(241)197-43-25-33-111(197)148(239)173-104(65-129(217)218)142(233)169-102(61-94-36-35-93-28-20-21-29-96(93)94)141(232)167-97(30-22-23-41-162-153(157)158)138(229)176-107(135(156)226)81-245-55-38-116(203)194-85-195-87-196(86-194)118(205)40-57-247-83-109(152(243)199-45-27-34-112(199)147(238)172-101(60-90(5)6)144(235)179-134(91(7)8)149(240)175-106(63-113(155)200)151(242)198-44-26-32-110(198)146(237)171-100(59-89(3)4)140(231)177-108(145(236)168-99)82-246-56-39-117(195)204)178-143(234)103(64-128(215)216)170-137(228)98(31-24-42-163-154(159)160)166-136(227)92(9)165-114(201)67-181(11)121(208)70-184(14)122(209)71-182(12)119(206)68-180(10)69-120(207)183(13)72-123(210)185(15)73-124(211)186(16)74-125(212)187(17)75-126(213)188(18)76-127(214)189(19)115(202)37-54-244-133(225)80-193-52-50-191(78-131(221)222)48-46-190(77-130(219)220)47-49-192(51-53-193)79-132(223)224/h20-21,28-29,66,84,88-92,94,97-112,134H,22-27,30-65,67-83,85-87H2,1-19H3,(H2,155,200)(H2,156,226)(H,161,164)(H,165,201)(H,166,227)(H,167,232)(H,168,236)(H,169,233)(H,170,228)(H,171,237)(H,172,238)(H,173,239)(H,174,230)(H,175,240)(H,176,229)(H,177,231)(H,178,234)(H,179,235)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H4,157,158,162)(H4,159,160,163)/t92-,94?,97?,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,134-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538260
(CHEMBL4643355)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C105H163N33O25S3/c1-54(2)37-66-90(150)127-71(41-61-45-113-50-118-61)101(161)136-31-16-23-76(136)97(157)117-46-80(140)120-69(40-60-44-116-63-20-12-11-19-62(60)63)92(152)122-64(21-13-14-29-114-104(109)110)89(149)129-73(95(155)119-59(10)86(108)146)47-164-34-26-81(141)133-51-134-53-135(52-133)83(143)28-36-166-49-75(131-93(153)70(43-84(144)145)124-88(148)65(121-87(147)58(9)106)22-15-30-115-105(111)112)103(163)138-33-18-25-78(138)99(159)126-68(39-56(5)6)94(154)132-85(57(7)8)100(160)128-72(42-79(107)139)102(162)137-32-17-24-77(137)98(158)125-67(38-55(3)4)91(151)130-74(96(156)123-66)48-165-35-27-82(134)142/h11-12,19-20,44-45,50,54-59,64-78,85,116H,13-18,21-43,46-49,51-53,106H2,1-10H3,(H2,107,139)(H2,108,146)(H,113,118)(H,117,157)(H,119,155)(H,120,140)(H,121,147)(H,122,152)(H,123,156)(H,124,148)(H,125,158)(H,126,159)(H,127,150)(H,128,160)(H,129,149)(H,130,151)(H,131,153)(H,132,154)(H,144,145)(H4,109,110,114)(H4,111,112,115)/t58-,59-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,85-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538267
(CHEMBL4634880)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC3CCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C103H156N30O26S3/c1-52(2)35-64-88(145)121-69(39-60-43-109-48-113-60)100(157)131-29-14-22-74(131)95(152)112-44-78(136)115-67(38-59-42-111-62-20-11-10-19-61(59)62)92(149)127-84(57(9)134)99(156)124-71(93(150)114-56(8)85(106)142)45-160-32-25-79(137)128-49-129-51-130(50-128)81(139)27-34-162-47-73(125-90(147)68(41-82(140)141)118-87(144)63(116-86(143)55(7)104)21-13-28-110-103(107)108)102(159)133-31-16-24-76(133)97(154)120-66(37-58-17-12-18-58)91(148)126-83(54(5)6)98(155)122-70(40-77(105)135)101(158)132-30-15-23-75(132)96(153)119-65(36-53(3)4)89(146)123-72(94(151)117-64)46-161-33-26-80(129)138/h10-11,19-20,42-43,48,52-58,63-76,83-84,111,134H,12-18,21-41,44-47,49-51,104H2,1-9H3,(H2,105,135)(H2,106,142)(H,109,113)(H,112,152)(H,114,150)(H,115,136)(H,116,143)(H,117,151)(H,118,144)(H,119,153)(H,120,154)(H,121,145)(H,122,155)(H,123,146)(H,124,156)(H,125,147)(H,126,148)(H,127,149)(H,140,141)(H4,107,108,110)/t55-,56-,57+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538272
(CHEMBL4636032)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC1CCc2ccccc12)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(=O)CCN)C(C)C |r| Show InChI InChI=1S/C138H218N42O37S3/c1-76(2)50-87-123(204)159-93(54-83-58-146-72-149-83)134(215)178-44-25-33-99(178)132(213)158-92(57-117(198)199)126(207)154-90(53-82-36-35-81-28-20-21-29-84(81)82)125(206)152-85(30-22-23-42-147-137(142)143)122(203)161-95(119(141)200)69-218-47-38-104(184)175-73-176-75-177(74-175)106(186)40-49-220-71-97(136(217)180-46-27-34-100(180)131(212)157-89(52-78(5)6)128(209)164-118(79(7)8)133(214)160-94(55-101(140)181)135(216)179-45-26-32-98(179)130(211)156-88(51-77(3)4)124(205)162-96(129(210)153-87)70-219-48-39-105(176)185)163-127(208)91(56-116(196)197)155-121(202)86(31-24-43-148-138(144)145)151-120(201)80(9)150-102(182)59-166(11)109(189)62-169(14)110(190)63-167(12)107(187)60-165(10)61-108(188)168(13)64-111(191)170(15)65-112(192)171(16)66-113(193)172(17)67-114(194)173(18)68-115(195)174(19)103(183)37-41-139/h20-21,28-29,58,72,76-80,82,85-100,118H,22-27,30-57,59-71,73-75,139H2,1-19H3,(H2,140,181)(H2,141,200)(H,146,149)(H,150,182)(H,151,201)(H,152,206)(H,153,210)(H,154,207)(H,155,202)(H,156,211)(H,157,212)(H,158,213)(H,159,204)(H,160,214)(H,161,203)(H,162,205)(H,163,208)(H,164,209)(H,196,197)(H,198,199)(H4,142,143,147)(H4,144,145,148)/t80-,82?,85?,86-,87-,88-,89-,90-,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538271
(CHEMBL4648601)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C102H156N30O26S3/c1-51(2)34-63-87(144)120-68(38-59-42-108-47-112-59)99(156)130-28-15-21-73(130)94(151)111-43-77(135)114-66(37-58-41-110-61-19-13-12-18-60(58)61)91(148)126-83(57(11)133)98(155)123-70(92(149)113-56(10)84(105)141)44-159-31-24-78(136)127-48-128-50-129(49-127)80(138)26-33-161-46-72(124-89(146)67(40-81(139)140)117-86(143)62(115-85(142)55(9)103)20-14-27-109-102(106)107)101(158)132-30-17-23-75(132)96(153)119-65(36-53(5)6)90(147)125-82(54(7)8)97(154)121-69(39-76(104)134)100(157)131-29-16-22-74(131)95(152)118-64(35-52(3)4)88(145)122-71(93(150)116-63)45-160-32-25-79(128)137/h12-13,18-19,41-42,47,51-57,62-75,82-83,110,133H,14-17,20-40,43-46,48-50,103H2,1-11H3,(H2,104,134)(H2,105,141)(H,108,112)(H,111,151)(H,113,149)(H,114,135)(H,115,142)(H,116,150)(H,117,143)(H,118,152)(H,119,153)(H,120,144)(H,121,154)(H,122,145)(H,123,155)(H,124,146)(H,125,147)(H,126,148)(H,139,140)(H4,106,107,109)/t55-,56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538239
(CHEMBL4640044)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C102H156N30O26S3/c1-51(2)34-63-87(144)120-68(38-59-42-108-47-112-59)99(156)130-28-15-21-73(130)94(151)111-43-77(135)114-66(37-58-41-110-61-19-13-12-18-60(58)61)91(148)126-83(57(11)133)98(155)123-70(92(149)113-56(10)84(105)141)44-159-31-24-78(136)127-48-128-50-129(49-127)80(138)26-33-161-46-72(124-89(146)67(40-81(139)140)117-86(143)62(115-85(142)55(9)103)20-14-27-109-102(106)107)101(158)132-30-17-23-75(132)96(153)119-65(36-53(5)6)90(147)125-82(54(7)8)97(154)121-69(39-76(104)134)100(157)131-29-16-22-74(131)95(152)118-64(35-52(3)4)88(145)122-71(93(150)116-63)45-160-32-25-79(128)137/h12-13,18-19,41-42,47,51-57,62-75,82-83,110,133H,14-17,20-40,43-46,48-50,103H2,1-11H3,(H2,104,134)(H2,105,141)(H,108,112)(H,111,151)(H,113,149)(H,114,135)(H,115,142)(H,116,150)(H,117,143)(H,118,152)(H,119,153)(H,120,144)(H,121,154)(H,122,145)(H,123,155)(H,124,146)(H,125,147)(H,126,148)(H,139,140)(H4,106,107,109)/t55-,56+,57-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,82+,83+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538263
(CHEMBL4643893)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(C)C |r| Show InChI InChI=1S/C104H158N30O28S3/c1-51(2)34-63-88(147)122-69(38-59-43-110-47-113-59)101(160)132-28-15-22-75(132)98(157)121-68(41-82(142)143)90(149)117-66(37-58-42-112-61-19-13-12-18-60(58)61)93(152)128-84(57(11)135)100(159)125-71(94(153)114-56(10)85(107)144)44-163-31-24-78(137)129-48-130-50-131(49-129)80(139)26-33-165-46-73(126-91(150)67(40-81(140)141)118-87(146)62(115-86(145)55(9)105)20-14-27-111-104(108)109)103(162)134-30-17-23-76(134)97(156)120-65(36-53(5)6)92(151)127-83(54(7)8)99(158)123-70(39-77(106)136)102(161)133-29-16-21-74(133)96(155)119-64(35-52(3)4)89(148)124-72(95(154)116-63)45-164-32-25-79(130)138/h12-13,18-19,42-43,47,51-57,62-76,83-84,112,135H,14-17,20-41,44-46,48-50,105H2,1-11H3,(H2,106,136)(H2,107,144)(H,110,113)(H,114,153)(H,115,145)(H,116,154)(H,117,149)(H,118,146)(H,119,155)(H,120,156)(H,121,157)(H,122,147)(H,123,158)(H,124,148)(H,125,159)(H,126,150)(H,127,151)(H,128,152)(H,140,141)(H,142,143)(H4,108,109,111)/t55-,56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538259
(CHEMBL4637500)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C103H158N30O26S3/c1-52(2)35-64-88(145)121-69(39-60-43-109-48-113-60)100(157)131-29-16-22-74(131)95(152)112-44-78(136)115-67(38-59-42-111-62-20-13-12-19-61(59)62)92(149)127-84(58(11)134)99(156)124-71(93(150)114-57(10)85(106)142)45-160-32-25-79(137)128-49-129-51-130(50-128)81(139)27-34-162-47-73(125-90(147)68(41-82(140)141)118-87(144)63(116-86(143)56(9)104)21-14-15-28-110-103(107)108)102(159)133-31-18-24-76(133)97(154)120-66(37-54(5)6)91(148)126-83(55(7)8)98(155)122-70(40-77(105)135)101(158)132-30-17-23-75(132)96(153)119-65(36-53(3)4)89(146)123-72(94(151)117-64)46-161-33-26-80(129)138/h12-13,19-20,42-43,48,52-58,63-76,83-84,111,134H,14-18,21-41,44-47,49-51,104H2,1-11H3,(H2,105,135)(H2,106,142)(H,109,113)(H,112,152)(H,114,150)(H,115,136)(H,116,143)(H,117,151)(H,118,144)(H,119,153)(H,120,154)(H,121,145)(H,122,155)(H,123,146)(H,124,156)(H,125,147)(H,126,148)(H,127,149)(H,140,141)(H4,107,108,110)/t56-,57-,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538265
(CHEMBL4643498)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C101H156N28O28S3/c1-50(2)36-62-86(143)113-61(24-25-79(136)137)98(155)127-30-15-21-71(127)93(150)109-43-75(132)111-65(39-57-42-108-59-19-13-12-18-58(57)59)90(147)123-82(56(11)130)97(154)120-68(91(148)110-55(10)83(104)140)44-158-33-26-76(133)124-47-125-49-126(48-124)78(135)28-35-160-46-70(121-88(145)66(41-80(138)139)115-85(142)60(112-84(141)54(9)102)20-14-29-107-101(105)106)100(157)129-32-17-23-73(129)95(152)117-64(38-52(5)6)89(146)122-81(53(7)8)96(153)118-67(40-74(103)131)99(156)128-31-16-22-72(128)94(151)116-63(37-51(3)4)87(144)119-69(92(149)114-62)45-159-34-27-77(125)134/h12-13,18-19,42,50-56,60-73,81-82,108,130H,14-17,20-41,43-49,102H2,1-11H3,(H2,103,131)(H2,104,140)(H,109,150)(H,110,148)(H,111,132)(H,112,141)(H,113,143)(H,114,149)(H,115,142)(H,116,151)(H,117,152)(H,118,153)(H,119,144)(H,120,154)(H,121,145)(H,122,146)(H,123,147)(H,136,137)(H,138,139)(H4,105,106,107)/t54-,55-,56+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-,82-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538269
(CHEMBL4635897)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C106H156N30O26S3/c1-55(2)39-68-92(149)124-72(42-63-46-112-51-116-63)103(160)134-33-16-24-77(134)98(155)115-47-81(139)118-70(41-62-45-114-65-22-14-13-21-64(62)65)95(152)130-87(60(9)137)102(159)127-74(96(153)117-59(8)88(109)145)48-163-36-29-82(140)131-52-132-54-133(53-131)84(142)31-38-165-50-76(128-94(151)71(44-85(143)144)122-90(147)66(119-89(146)58(7)107)23-15-32-113-106(110)111)105(162)136-35-18-25-78(136)99(156)120-67(28-27-61-19-11-10-12-20-61)91(148)129-86(57(5)6)101(158)125-73(43-80(108)138)104(161)135-34-17-26-79(135)100(157)123-69(40-56(3)4)93(150)126-75(97(154)121-68)49-164-37-30-83(132)141/h10-14,19-22,45-46,51,55-60,66-79,86-87,114,137H,15-18,23-44,47-50,52-54,107H2,1-9H3,(H2,108,138)(H2,109,145)(H,112,116)(H,115,155)(H,117,153)(H,118,139)(H,119,146)(H,120,156)(H,121,154)(H,122,147)(H,123,157)(H,124,149)(H,125,158)(H,126,150)(H,127,159)(H,128,151)(H,129,148)(H,130,152)(H,143,144)(H4,110,111,113)/t58-,59-,60+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,86-,87-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538254
(CHEMBL4638336)Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)c3 |r| Show InChI InChI=1S/C98H128N22O22S3/c1-52(2)81-95(140)113-72(45-121)96(141)119-34-12-20-77(119)93(138)108-67(30-31-80(125)126)85(130)109-69(40-56-22-26-62(122)27-23-56)88(133)116-75-51-145-48-60-37-58(36-59(38-60)47-144-50-74(114-83(128)53(3)99)91(136)107-66(86(131)117-81)18-10-32-103-98(101)102)46-143-49-73(90(135)106-54(4)82(100)127)115-89(134)71(42-61-43-104-65-17-9-8-16-64(61)65)110-87(132)70(41-57-24-28-63(123)29-25-57)112-92(137)76-19-11-33-118(76)79(124)44-105-84(129)68(39-55-14-6-5-7-15-55)111-94(139)78-21-13-35-120(78)97(75)142/h5-9,14-17,22-29,36-38,43,52-54,66-78,81,104,121-123H,10-13,18-21,30-35,39-42,44-51,99H2,1-4H3,(H2,100,127)(H,105,129)(H,106,135)(H,107,136)(H,108,138)(H,109,130)(H,110,132)(H,111,139)(H,112,137)(H,113,140)(H,114,128)(H,115,134)(H,116,133)(H,117,131)(H,125,126)(H4,101,102,103)/t53-,54-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538268
(CHEMBL4642586)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C3CCCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C103H156N30O26S3/c1-52(2)36-64-88(145)120-68(39-60-43-109-48-113-60)100(157)131-30-15-23-73(131)94(151)112-44-77(136)115-66(38-59-42-111-62-21-13-12-20-61(59)62)91(148)126-83(57(9)134)98(155)123-70(92(149)114-56(8)85(106)142)45-160-33-26-78(137)128-49-129-51-130(50-128)80(139)28-35-162-47-72(124-90(147)67(41-81(140)141)118-87(144)63(116-86(143)55(7)104)22-14-29-110-103(107)108)102(159)133-32-17-25-75(133)96(153)127-84(58-18-10-11-19-58)99(156)125-82(54(5)6)97(154)121-69(40-76(105)135)101(158)132-31-16-24-74(132)95(152)119-65(37-53(3)4)89(146)122-71(93(150)117-64)46-161-34-27-79(129)138/h12-13,20-21,42-43,48,52-58,63-75,82-84,111,134H,10-11,14-19,22-41,44-47,49-51,104H2,1-9H3,(H2,105,135)(H2,106,142)(H,109,113)(H,112,151)(H,114,149)(H,115,136)(H,116,143)(H,117,150)(H,118,144)(H,119,152)(H,120,145)(H,121,154)(H,122,146)(H,123,155)(H,124,147)(H,125,156)(H,126,148)(H,127,153)(H,140,141)(H4,107,108,110)/t55-,56-,57+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-,84-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538247
(CHEMBL4642437)Show SMILES [H][C@@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C91H145N31O27S4/c1-45(2)70-87(148)116-60(84(145)108-53(21-22-67(127)128)77(138)112-57(37-68(129)130)80(141)105-50(72(94)133)17-11-27-101-89(95)96)40-152-33-25-65(125)120-42-119-43-121(44-120)66(126)26-34-153-41-61(114-73(134)47(5)92)85(146)118-71(46(3)4)88(149)122-30-14-20-62(122)86(147)113-58(38-69(131)132)81(142)107-51(18-12-28-102-90(97)98)75(136)106-52(19-13-29-103-91(99)100)76(137)115-59(39-151-32-24-64(119)124)83(144)104-48(6)74(135)110-55(35-49-15-9-8-10-16-49)79(140)109-54(23-31-150-7)78(139)111-56(36-63(93)123)82(143)117-70/h8-10,15-16,45-48,50-62,70-71H,11-14,17-44,92H2,1-7H3,(H2,93,123)(H2,94,133)(H,104,144)(H,105,141)(H,106,136)(H,107,142)(H,108,145)(H,109,140)(H,110,135)(H,111,139)(H,112,138)(H,113,147)(H,114,134)(H,115,137)(H,116,148)(H,117,143)(H,118,146)(H,127,128)(H,129,130)(H,131,132)(H4,95,96,101)(H4,97,98,102)(H4,99,100,103)/t47-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-,71-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538256
(CHEMBL4644287)Show SMILES [H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(C)C)C(=O)N2)c3 |r| Show InChI InChI=1S/C82H114N20O20S4/c1-39(2)21-55-71(111)89-32-66(106)91-57(26-47-30-87-51-15-11-9-13-49(47)51)78(118)102-68(43(7)103)82(122)101-61(79(119)90-42(6)69(86)109)36-124-33-44-23-45-25-46(24-44)35-126-38-63(81(121)92-53(72(112)94-55)17-18-64(84)104)100-74(114)56(22-40(3)4)95-75(115)58(27-48-31-88-52-16-12-10-14-50(48)52)96-77(117)60(29-67(107)108)98-76(116)59(28-65(85)105)97-73(113)54(19-20-123-8)93-80(120)62(37-125-34-45)99-70(110)41(5)83/h9-16,23-25,30-31,39-43,53-63,68,87-88,103H,17-22,26-29,32-38,83H2,1-8H3,(H2,84,104)(H2,85,105)(H2,86,109)(H,89,111)(H,90,119)(H,91,106)(H,92,121)(H,93,120)(H,94,112)(H,95,115)(H,96,117)(H,97,113)(H,98,116)(H,99,110)(H,100,114)(H,101,122)(H,102,118)(H,107,108)/t41-,42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538241
(CHEMBL4639187)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC2=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C81H119N19O22S4/c1-45(2)33-54-74(115)91-53(21-23-68(108)109)81(122)100-28-14-19-61(100)80(121)96-60-41-126-32-27-66(105)99-43-97(64(103)25-30-124-39-58(94-70(111)47(5)82)72(113)85-38-63(102)88-56(35-49-15-10-8-11-16-49)76(117)90-52(24-29-123-7)71(112)84-37-62(101)87-54)42-98(44-99)65(104)26-31-125-40-59(78(119)86-48(6)69(83)110)95-77(118)57(36-50-17-12-9-13-18-50)93-75(116)55(34-46(3)4)92-73(114)51(89-79(60)120)20-22-67(106)107/h8-13,15-18,45-48,51-61H,14,19-44,82H2,1-7H3,(H2,83,110)(H,84,112)(H,85,113)(H,86,119)(H,87,101)(H,88,102)(H,89,120)(H,90,117)(H,91,115)(H,92,114)(H,93,116)(H,94,111)(H,95,118)(H,96,121)(H,106,107)(H,108,109)/t47-,48-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538255
(CHEMBL4637860)Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N1)c3 |r| Show InChI InChI=1S/C91H131N23O19S4/c1-9-48(4)73-90(133)114-31-18-26-69(114)86(129)111-74(51(7)115)88(131)102-60(27-32-134-8)79(122)108-66-46-137-43-55-34-53(33-54(35-55)42-136-45-65(106-76(119)49(5)92)83(126)101-59(23-15-28-97-91(95)96)78(121)103-63(38-70(93)116)81(124)110-73)41-135-44-64(82(125)100-50(6)75(94)118)107-80(123)62(37-56-39-98-58-22-14-13-21-57(56)58)105-87(130)72(47(2)3)109-85(128)67-24-16-29-112(67)71(117)40-99-77(120)61(36-52-19-11-10-12-20-52)104-84(127)68-25-17-30-113(68)89(66)132/h10-14,19-22,33-35,39,47-51,59-69,72-74,98,115H,9,15-18,23-32,36-38,40-46,92H2,1-8H3,(H2,93,116)(H2,94,118)(H,99,120)(H,100,125)(H,101,126)(H,102,131)(H,103,121)(H,104,127)(H,105,130)(H,106,119)(H,107,123)(H,108,122)(H,109,128)(H,110,124)(H,111,129)(H4,95,96,97)/t48-,49-,50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-,74-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538251
(CHEMBL4645672)Show SMILES [H][C@@]12CCCN1C(=O)N[C@@H](CCC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N1)c3 |r| Show InChI InChI=1S/C91H129N21O21S3/c1-10-48(6)75-89(131)104-64(37-56-38-96-58-21-15-14-20-57(56)58)83(125)106-65-43-134-40-53-33-54(35-55(34-53)42-136-45-67(105-78(120)49(7)92)86(128)110-74(47(4)5)90(132)111-30-16-22-68(111)87(129)101-60(24-27-70(93)113)80(122)97-39-72(115)109-75)41-135-44-66(84(126)98-50(8)77(95)119)107-88(130)69-23-17-31-112(69)91(133)108-59(26-29-73(116)117)76(118)62(36-52-18-12-11-13-19-52)102-81(123)61(25-28-71(94)114)100-82(124)63(32-46(2)3)103-79(121)51(9)99-85(65)127/h11-15,18-21,33-35,38,46-51,59-69,74-75,96H,10,16-17,22-32,36-37,39-45,92H2,1-9H3,(H2,93,113)(H2,94,114)(H2,95,119)(H,97,122)(H,98,126)(H,99,127)(H,100,124)(H,101,129)(H,102,123)(H,103,121)(H,104,131)(H,105,120)(H,106,125)(H,107,130)(H,108,133)(H,109,115)(H,110,128)(H,116,117)/t48-,49-,50-,51-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538257
(CHEMBL4647046)Show SMILES [H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(C)C)C(=O)N2)c3 |r| Show InChI InChI=1S/C80H111N19O20S4/c1-38(2)19-53-69(108)86-30-64(103)88-55(24-46-28-84-50-15-11-9-13-48(46)50)75(114)99-66(42(7)101)80(119)98-60(77(116)87-41(6)67(83)106)35-121-32-43-21-44-23-45(22-43)34-123-37-62(79(118)95-59(31-100)76(115)90-53)97-71(110)54(20-39(3)4)91-72(111)56(25-47-29-85-51-16-12-10-14-49(47)51)92-74(113)58(27-65(104)105)94-73(112)57(26-63(82)102)93-70(109)52(17-18-120-8)89-78(117)61(36-122-33-44)96-68(107)40(5)81/h9-16,21-23,28-29,38-42,52-62,66,84-85,100-101H,17-20,24-27,30-37,81H2,1-8H3,(H2,82,102)(H2,83,106)(H,86,108)(H,87,116)(H,88,103)(H,89,117)(H,90,115)(H,91,111)(H,92,113)(H,93,109)(H,94,112)(H,95,118)(H,96,107)(H,97,110)(H,98,119)(H,99,114)(H,104,105)/t40-,41-,42+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538240
(CHEMBL4641388)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC2=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C90H142N24O23S3/c1-46(2)32-57-79(126)106-64-41-139-30-24-71(120)111-43-110(44-112(45-111)72(121)25-31-140-42-65(107-76(123)50(9)92)90(137)114-28-17-22-67(114)86(133)102-59(34-48(5)6)81(128)108-73(49(7)8)87(134)103-61(36-68(93)117)89(136)113-27-16-21-66(113)85(132)101-57)70(119)23-29-138-40-63(83(130)97-51(10)75(94)122)105-78(125)56(20-14-15-26-91)99-80(127)60(35-53-37-95-55-19-13-12-18-54(53)55)98-69(118)38-96-77(124)62(39-115)104-88(135)74(52(11)116)109-82(129)58(33-47(3)4)100-84(64)131/h12-13,18-19,37,46-52,56-67,73-74,95,115-116H,14-17,20-36,38-45,91-92H2,1-11H3,(H2,93,117)(H2,94,122)(H,96,124)(H,97,130)(H,98,118)(H,99,127)(H,100,131)(H,101,132)(H,102,133)(H,103,134)(H,104,135)(H,105,125)(H,106,126)(H,107,123)(H,108,128)(H,109,129)/t50-,51-,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538244
(CHEMBL4638181)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC2=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H133N23O27S3/c1-7-49(2)78-92(142)110-68(88(138)101-51(4)80(98)130)44-147-34-28-74(124)115-46-114-47-116(48-115)75(125)29-35-148-45-69(111-81(131)50(3)97)95(145)118-32-13-18-71(118)91(141)106-64(39-76(126)127)86(136)105-63(38-56-41-99-60-15-9-8-14-59(56)60)83(133)100-42-72(122)103-61(16-10-11-30-96)84(134)104-62(36-54-19-23-57(120)24-20-54)85(135)109-67(43-146-33-27-73(114)123)89(139)102-52(5)82(132)108-66(37-55-21-25-58(121)26-22-55)94(144)117-31-12-17-70(117)90(140)107-65(40-77(128)129)87(137)113-79(53(6)119)93(143)112-78/h8-9,14-15,19-26,41,49-53,61-71,78-79,99,119-121H,7,10-13,16-18,27-40,42-48,96-97H2,1-6H3,(H2,98,130)(H,100,133)(H,101,138)(H,102,139)(H,103,122)(H,104,134)(H,105,136)(H,106,141)(H,107,140)(H,108,132)(H,109,135)(H,110,142)(H,111,131)(H,112,143)(H,113,137)(H,126,127)(H,128,129)/t49-,50-,51-,52-,53+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538248
(CHEMBL4635141)Show SMILES [H][C@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)NC1=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C80H121N21O23S4/c1-41(2)65-79(123)85-34-60(105)88-50(11-9-10-26-81)70(114)89-51(20-21-64(109)110)71(115)95-56-35-126-28-23-61(106)99-38-100(40-101(39-99)63(108)25-30-128-37-58(94-68(112)43(5)82)78(122)92-54(74(118)97-65)32-47-14-18-49(103)19-15-47)62(107)24-29-127-36-57(76(120)86-44(6)67(84)111)96-80(124)66(42(3)4)98-75(119)55(33-59(83)104)93-72(116)52(22-27-125-8)90-73(117)53(31-46-12-16-48(102)17-13-46)91-69(113)45(7)87-77(56)121/h12-19,41-45,50-58,65-66,102-103H,9-11,20-40,81-82H2,1-8H3,(H2,83,104)(H2,84,111)(H,85,123)(H,86,120)(H,87,121)(H,88,105)(H,89,114)(H,90,117)(H,91,113)(H,92,122)(H,93,116)(H,94,112)(H,95,115)(H,96,124)(H,97,118)(H,98,119)(H,109,110)/t43-,44-,45-,50-,51-,52-,53-,54-,55-,56-,57-,58-,65-,66-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538246
(CHEMBL4645245)Show SMILES [H][C@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C70H113N21O22S3/c1-33(2)24-41-61(104)84-45(63(106)75-36(6)56(74)99)28-115-22-17-52(97)88-30-87-31-89(32-88)53(98)18-23-116-29-46(82-57(100)35(5)71)65(108)81-43(26-92)69(112)90-19-10-13-48(90)67(110)86-55(39(9)93)70(113)91-20-11-12-47(91)66(109)77-37(7)58(101)83-44(27-114-21-16-51(87)96)64(107)76-38(8)59(102)85-54(34(3)4)68(111)78-40(14-15-49(72)94)60(103)80-42(25-50(73)95)62(105)79-41/h33-48,54-55,92-93H,10-32,71H2,1-9H3,(H2,72,94)(H2,73,95)(H2,74,99)(H,75,106)(H,76,107)(H,77,109)(H,78,111)(H,79,105)(H,80,103)(H,81,108)(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,110)/t35-,36-,37-,38-,39+,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538253
(CHEMBL4638393)Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](NC(=O)[C@]4([H])CCCN4C(=O)[C@]([H])(CSCc(c3)c1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC2=O)C(C)C)[C@H](C)O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C89H121N23O18S3/c1-46(2)73-86(127)104-64(33-56-36-93-45-98-56)79(120)96-37-71(114)101-61(20-11-12-24-90)80(121)109-74(50(6)113)87(128)105-65(82(123)99-48(4)75(92)116)42-131-39-51-28-52-30-53(29-51)41-133-44-67(89(130)112-27-15-23-70(112)85(126)108-73)107-81(122)63(32-55-35-95-60-19-10-8-17-58(55)60)102-77(118)49(5)100-83(124)68-21-13-25-110(68)72(115)38-97-78(119)62(31-54-34-94-59-18-9-7-16-57(54)59)103-84(125)69-22-14-26-111(69)88(129)66(43-132-40-52)106-76(117)47(3)91/h7-10,16-19,28-30,34-36,45-50,61-70,73-74,94-95,113H,11-15,20-27,31-33,37-44,90-91H2,1-6H3,(H2,92,116)(H,93,98)(H,96,120)(H,97,119)(H,99,123)(H,100,124)(H,101,114)(H,102,118)(H,103,125)(H,104,127)(H,105,128)(H,106,117)(H,107,122)(H,108,126)(H,109,121)/t47-,48-,49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538249
(CHEMBL4648501)Show SMILES [H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N2)c3 |r| Show InChI InChI=1S/C77H98N18O19S3/c1-37(2)64-77(114)90-53(23-41-14-16-47(97)17-15-41)70(107)89-56(26-63(100)101)72(109)94-59(75(112)84-39(4)65(80)102)35-116-32-43-20-42-21-44(22-43)33-117-36-60(93-69(106)52(18-19-61(79)98)86-62(99)29-83-68(105)58(34-115-31-42)92-66(103)38(3)78)76(113)88-54(24-45-27-81-50-12-8-6-10-48(45)50)71(108)91-57(30-96)74(111)85-40(5)67(104)87-55(73(110)95-64)25-46-28-82-51-13-9-7-11-49(46)51/h6-17,20-22,27-28,37-40,52-60,64,81-82,96-97H,18-19,23-26,29-36,78H2,1-5H3,(H2,79,98)(H2,80,102)(H,83,105)(H,84,112)(H,85,111)(H,86,99)(H,87,104)(H,88,113)(H,89,107)(H,90,114)(H,91,108)(H,92,103)(H,93,106)(H,94,109)(H,95,110)(H,100,101)/t38-,39-,40-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50551201
(CHEMBL4761556)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112083
BindingDB Entry DOI: 10.7270/Q2X35233 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50234957
(CHEMBL3735125)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O4/c1-22(8-13-33(40)38-25(20-34(41)42)18-23-21-37-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(39)14-16-35(24,2)31(28)15-17-36(29,30)3/h4-7,21-22,24-26,28-31,37,39H,8-20H2,1-3H3,(H,38,40)(H,41,42)/t22-,24-,25+,26-,28+,29-,30+,31+,35+,36-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112083
BindingDB Entry DOI: 10.7270/Q2X35233 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538261
(CHEMBL4632996)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C104H157N29O26S3/c1-53(2)36-65-89(145)121-70(41-63-44-110-49-113-63)101(157)131-30-15-21-75(131)96(152)112-45-79(136)115-68(40-60-24-25-61-18-12-13-19-62(61)39-60)93(149)127-85(59(11)134)100(156)124-72(94(150)114-58(10)86(107)142)46-160-33-26-80(137)128-50-129-52-130(51-128)82(139)28-35-162-48-74(125-91(147)69(43-83(140)141)118-88(144)64(116-87(143)57(9)105)20-14-29-111-104(108)109)103(159)133-32-17-23-77(133)98(154)120-67(38-55(5)6)92(148)126-84(56(7)8)99(155)122-71(42-78(106)135)102(158)132-31-16-22-76(132)97(153)119-66(37-54(3)4)90(146)123-73(95(151)117-65)47-161-34-27-81(129)138/h12-13,18-19,24-25,39,44,49,53-59,64-77,84-85,134H,14-17,20-23,26-38,40-43,45-48,50-52,105H2,1-11H3,(H2,106,135)(H2,107,142)(H,110,113)(H,112,152)(H,114,150)(H,115,136)(H,116,143)(H,117,151)(H,118,144)(H,119,153)(H,120,154)(H,121,145)(H,122,155)(H,123,146)(H,124,156)(H,125,147)(H,126,148)(H,127,149)(H,140,141)(H4,108,109,111)/t57-,58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 539 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50234948
(CHEMBL4078429)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C37H53N3O5/c1-22(8-13-33(41)40-25(20-34(42)43)18-23-21-39-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(45-35(38)44)14-16-36(24,2)31(28)15-17-37(29,30)3/h4-7,21-22,24-26,28-31,39H,8-20H2,1-3H3,(H2,38,44)(H,40,41)(H,42,43)/t22-,24-,25+,26-,28+,29-,30+,31+,36+,37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112083
BindingDB Entry DOI: 10.7270/Q2X35233 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538245
(CHEMBL4649266)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC2=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C92H134N22O29S3/c1-8-46(2)73-89(140)107-66(85(136)96-48(4)76(95)127)41-145-32-27-70(123)112-43-111-44-113(45-112)71(124)28-33-146-42-67(105-77(128)47(3)94)87(138)103-63(38-115)83(134)98-58(12-9-10-29-93)79(130)109-74(50(6)117)90(141)104-64(39-116)84(135)100-59(34-52-14-20-55(119)21-15-52)80(131)99-60(35-53-16-22-56(120)23-17-53)81(132)106-65(40-144-31-26-69(111)122)86(137)97-49(5)78(129)102-62(36-54-18-24-57(121)25-19-54)92(143)114-30-11-13-68(114)88(139)101-61(37-72(125)126)82(133)110-75(51(7)118)91(142)108-73/h14-25,46-51,58-68,73-75,115-121H,8-13,26-45,93-94H2,1-7H3,(H2,95,127)(H,96,136)(H,97,137)(H,98,134)(H,99,131)(H,100,135)(H,101,139)(H,102,129)(H,103,138)(H,104,141)(H,105,128)(H,106,132)(H,107,140)(H,108,142)(H,109,130)(H,110,133)(H,125,126)/t46-,47-,48-,49-,50-,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 815 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538250
(CHEMBL4639176)Show SMILES [H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC1=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N2)c3 |r| Show InChI InChI=1S/C78H111N17O21S4/c1-38(2)21-50-68(106)93-57(75(113)83-42(8)65(81)103)35-118-32-45-23-46-25-47(24-45)34-120-37-59(77(115)88-52(26-43-13-11-10-12-14-43)70(108)87-53(27-44-15-17-48(96)18-16-44)69(107)85-49(19-20-117-9)67(105)82-31-61(98)84-50)94-73(111)56(30-63(101)102)90-72(110)55(29-62(99)100)89-71(109)54(28-60(80)97)91-78(116)64(40(5)6)95-74(112)51(22-39(3)4)86-76(114)58(36-119-33-46)92-66(104)41(7)79/h10-18,23-25,38-42,49-59,64,96H,19-22,26-37,79H2,1-9H3,(H2,80,97)(H2,81,103)(H,82,105)(H,83,113)(H,84,98)(H,85,107)(H,86,114)(H,87,108)(H,88,115)(H,89,109)(H,90,110)(H,91,116)(H,92,104)(H,93,106)(H,94,111)(H,95,112)(H,99,100)(H,101,102)/t41-,42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 931 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538262
(CHEMBL4633239)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cccc3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C104H157N29O26S3/c1-53(2)37-65-89(145)121-70(41-62-44-110-49-113-62)101(157)131-31-16-24-75(131)96(152)112-45-79(136)115-68(40-61-21-14-20-60-19-12-13-22-63(60)61)93(149)127-85(59(11)134)100(156)124-72(94(150)114-58(10)86(107)142)46-160-34-27-80(137)128-50-129-52-130(51-128)82(139)29-36-162-48-74(125-91(147)69(43-83(140)141)118-88(144)64(116-87(143)57(9)105)23-15-30-111-104(108)109)103(159)133-33-18-26-77(133)98(154)120-67(39-55(5)6)92(148)126-84(56(7)8)99(155)122-71(42-78(106)135)102(158)132-32-17-25-76(132)97(153)119-66(38-54(3)4)90(146)123-73(95(151)117-65)47-161-35-28-81(129)138/h12-14,19-22,44,49,53-59,64-77,84-85,134H,15-18,23-43,45-48,50-52,105H2,1-11H3,(H2,106,135)(H2,107,142)(H,110,113)(H,112,152)(H,114,150)(H,115,136)(H,116,143)(H,117,151)(H,118,144)(H,119,153)(H,120,154)(H,121,145)(H,122,155)(H,123,146)(H,124,156)(H,125,147)(H,126,148)(H,127,149)(H,140,141)(H4,108,109,111)/t57-,58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538243
(CHEMBL4637447)Show SMILES [H][C@@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C75H106N20O21S3/c1-40(77)64(105)88-54-35-118-26-20-60(100)92-37-91-38-93(39-92)61(101)21-27-119-36-55(90-72(113)56-13-8-23-94(56)74(115)48(84-70(54)111)12-6-7-22-76)71(112)85-50(30-62(102)103)66(107)80-32-58(98)83-49(28-43-15-17-45(97)18-16-43)67(108)87-52(33-96)68(109)82-42(3)65(106)86-51(29-44-31-79-47-11-5-4-10-46(44)47)75(116)95-24-9-14-57(95)73(114)89-53(34-117-25-19-59(91)99)69(110)81-41(2)63(78)104/h4-5,10-11,15-18,31,40-42,48-57,79,96-97H,6-9,12-14,19-30,32-39,76-77H2,1-3H3,(H2,78,104)(H,80,107)(H,81,110)(H,82,109)(H,83,98)(H,84,111)(H,85,112)(H,86,106)(H,87,108)(H,88,105)(H,89,114)(H,90,113)(H,102,103)/t40-,41-,42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50402020
(CHEMBL2205426)Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EPHA2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP |
Bioorg Med Chem Lett 22: 7615-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50538242
(CHEMBL4634115)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC2=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C72H109N19O24S4/c1-38(2)26-45-65(108)82-44(14-16-59(101)102)72(115)91-21-9-12-52(91)71(114)87-51-34-119-25-20-57(98)90-36-88(35-89(37-90)56(97)19-24-118-33-50(69(112)77-40(4)60(74)103)86-68(111)48(31-93)84-67(110)47(30-92)83-64(107)42(80-70(51)113)13-15-58(99)100)55(96)18-23-117-32-49(85-61(104)39(3)73)63(106)76-29-54(95)79-46(27-41-10-7-6-8-11-41)66(109)81-43(17-22-116-5)62(105)75-28-53(94)78-45/h6-8,10-11,38-40,42-52,92-93H,9,12-37,73H2,1-5H3,(H2,74,103)(H,75,105)(H,76,106)(H,77,112)(H,78,94)(H,79,95)(H,80,113)(H,81,109)(H,82,108)(H,83,107)(H,84,110)(H,85,104)(H,86,111)(H,87,114)(H,99,100)(H,101,102)/t39-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BicycleTx Limited
Curated by ChEMBL
| Assay Description
Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo... |
J Med Chem 63: 4107-4116 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02129
BindingDB Entry DOI: 10.7270/Q2474FC3 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50224883
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of EPHA2 |
Bioorg Med Chem Lett 17: 6593-601 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50234950
(CHEMBL4059908)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O3/c1-23(11-16-33(39)38-26(21-34(40)41)20-24-22-37-32-10-5-4-9-27(24)32)29-14-15-30-28-13-12-25-8-6-7-18-35(25,2)31(28)17-19-36(29,30)3/h4-5,9-10,22-23,25-26,28-31,37H,6-8,11-21H2,1-3H3,(H,38,39)(H,40,41)/t23-,25+,26+,28+,29-,30+,31+,35+,36-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description
Binding affinity to EphA2 (unknown origin) |
Eur J Med Chem 142: 152-162 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.029
BindingDB Entry DOI: 10.7270/Q29026GX |
More data for this
Ligand-Target Pair | |
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