Found 113 hits with Last Name = 'pasquale' and Initial = 'eb' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535195
(CHEMBL4530593)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r| Show InChI InChI=1S/C67H91N17O18S2/c1-35(2)56-66(102)80-47(30-37-13-17-40(86)18-14-37)61(97)76-43(9-5-26-73-67(70)71)58(94)72-27-24-52(87)75-44(19-21-54(89)90)59(95)78-48(31-38-32-74-42-8-4-3-7-41(38)42)63(99)77-45(20-22-55(91)92)60(96)81-49(57(69)93)33-103-104-34-50(64(100)83-56)82-62(98)46(29-36-11-15-39(85)16-12-36)79-65(101)51-10-6-28-84(51)53(88)23-25-68/h3-4,7-8,11-18,32,35,43-51,56,74,85-86H,5-6,9-10,19-31,33-34,68H2,1-2H3,(H2,69,93)(H,72,94)(H,75,87)(H,76,97)(H,77,99)(H,78,95)(H,79,101)(H,80,102)(H,81,96)(H,82,98)(H,83,100)(H,89,90)(H,91,92)(H4,70,71,73)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535199
(CHEMBL4462106)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N |r| Show InChI InChI=1S/C67H91N17O18S2/c1-34(2)55-65(101)80-47(29-37-14-18-40(86)19-15-37)60(96)76-43(10-6-25-73-67(70)71)57(93)72-26-24-52(87)75-44(20-22-53(88)89)58(94)78-48(30-38-31-74-42-9-5-4-8-41(38)42)62(98)77-45(21-23-54(90)91)59(95)81-49(56(69)92)32-103-104-33-50(63(99)83-55)82-61(97)46(28-36-12-16-39(85)17-13-36)79-64(100)51-11-7-27-84(51)66(102)35(3)68/h4-5,8-9,12-19,31,34-35,43-51,55,74,85-86H,6-7,10-11,20-30,32-33,68H2,1-3H3,(H2,69,92)(H,72,93)(H,75,87)(H,76,96)(H,77,98)(H,78,94)(H,79,100)(H,80,101)(H,81,95)(H,82,97)(H,83,99)(H,88,89)(H,90,91)(H4,70,71,73)/t35-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50254742
(CHEMBL4076347)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)Cn1nc(N)c2cc(nnc12)-c1c(nn2ccccc12)-c1ccccc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C179H310N70O43/c1-14-98(9)137(241-163(280)126(94-251)238-162(279)125(93-250)237-158(275)119(59-63-134(258)259)232-166(283)138(99(10)15-2)242-164(281)128-55-38-79-247(128)169(286)120(44-22-27-68-183)233-161(278)124(90-96(5)6)235-157(274)117(57-61-130(185)254)219-144(261)101(12)217-168(285)139(102(13)252)239-132(256)64-81-289-83-85-291-87-88-292-86-84-290-82-78-206-133(257)92-249-142-104(141(187)246-249)91-122(243-244-142)135-127-54-23-28-80-248(127)245-140(135)103-39-17-16-18-40-103)167(284)236-123(89-95(3)4)160(277)216-100(11)143(260)218-116(56-60-129(184)253)155(272)227-111(48-32-72-210-174(194)195)151(268)229-115(52-36-76-214-178(202)203)159(276)240-136(97(7)8)165(282)231-114(51-35-75-213-177(200)201)153(270)222-107(43-21-26-67-182)147(264)223-108(45-29-69-207-171(188)189)148(265)221-105(41-19-24-65-180)145(262)220-106(42-20-25-66-181)146(263)224-109(46-30-70-208-172(190)191)149(266)225-112(49-33-73-211-175(196)197)152(269)230-118(58-62-131(186)255)156(273)228-110(47-31-71-209-173(192)193)150(267)226-113(50-34-74-212-176(198)199)154(271)234-121(170(287)288)53-37-77-215-179(204)205/h16-18,23,28,39-40,54,80,91,95-102,105-121,123-126,128,136-139,250-252H,14-15,19-22,24-27,29-38,41-53,55-79,81-90,92-94,180-183H2,1-13H3,(H2,184,253)(H2,185,254)(H2,186,255)(H2,187,246)(H,206,257)(H,216,277)(H,217,285)(H,218,260)(H,219,261)(H,220,262)(H,221,265)(H,222,270)(H,223,264)(H,224,263)(H,225,266)(H,226,267)(H,227,272)(H,228,273)(H,229,268)(H,230,269)(H,231,282)(H,232,283)(H,233,278)(H,234,271)(H,235,274)(H,236,284)(H,237,275)(H,238,279)(H,239,256)(H,240,276)(H,241,280)(H,242,281)(H,258,259)(H,287,288)(H4,188,189,207)(H4,190,191,208)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)/t98-,99-,100-,101-,102+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,123-,124-,125-,126-,128-,136-,137-,138-,139-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.
Curated by ChEMBL
| Assay Description
Binding affinity to non-phosphorylated full length N-terminal His6-tagged/SUMO-fused ERK2 (1 to 360 residues) (unknown origin) by isothermal titratio... |
ACS Med Chem Lett 8: 726-731 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00127
BindingDB Entry DOI: 10.7270/Q2ZW1PCV |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535185
(CHEMBL4464968)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r| Show InChI InChI=1S/C63H87N17O16S2/c1-33(2)52-62(96)75-43(26-35-13-17-38(84)18-14-35)55(89)72-41(9-5-22-69-63(66)67)54(88)68-23-20-50(85)71-45(29-81)58(92)73-44(27-36-28-70-40-8-4-3-7-39(36)40)57(91)76-46(30-82)59(93)77-47(53(65)87)31-97-98-32-48(60(94)79-52)78-56(90)42(25-34-11-15-37(83)16-12-34)74-61(95)49-10-6-24-80(49)51(86)19-21-64/h3-4,7-8,11-18,28,33,41-49,52,70,81-84H,5-6,9-10,19-27,29-32,64H2,1-2H3,(H2,65,87)(H,68,88)(H,71,85)(H,72,89)(H,73,92)(H,74,95)(H,75,96)(H,76,91)(H,77,93)(H,78,90)(H,79,94)(H4,66,67,69)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Mus musculus) | BDBM50535185
(CHEMBL4464968)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r| Show InChI InChI=1S/C63H87N17O16S2/c1-33(2)52-62(96)75-43(26-35-13-17-38(84)18-14-35)55(89)72-41(9-5-22-69-63(66)67)54(88)68-23-20-50(85)71-45(29-81)58(92)73-44(27-36-28-70-40-8-4-3-7-39(36)40)57(91)76-46(30-82)59(93)77-47(53(65)87)31-97-98-32-48(60(94)79-52)78-56(90)42(25-34-11-15-37(83)16-12-34)74-61(95)49-10-6-24-80(49)51(86)19-21-64/h3-4,7-8,11-18,28,33,41-49,52,70,81-84H,5-6,9-10,19-27,29-32,64H2,1-2H3,(H2,65,87)(H,68,88)(H,71,85)(H,72,89)(H,73,92)(H,74,95)(H,75,96)(H,76,91)(H,77,93)(H,78,90)(H,79,94)(H4,66,67,69)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against mouse EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535194
(CHEMBL4464855)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N |r| Show InChI InChI=1S/C66H89N17O18S2/c1-33(2)54-64(100)79-45(27-36-14-18-39(85)19-15-36)58(94)75-42(10-6-23-72-66(69)70)56(92)71-24-22-51(86)74-47(29-53(89)90)61(97)77-46(28-37-30-73-41-9-5-4-8-40(37)41)60(96)76-43(20-21-52(87)88)57(93)80-48(55(68)91)31-102-103-32-49(62(98)82-54)81-59(95)44(26-35-12-16-38(84)17-13-35)78-63(99)50-11-7-25-83(50)65(101)34(3)67/h4-5,8-9,12-19,30,33-34,42-50,54,73,84-85H,6-7,10-11,20-29,31-32,67H2,1-3H3,(H2,68,91)(H,71,92)(H,74,86)(H,75,94)(H,76,96)(H,77,97)(H,78,99)(H,79,100)(H,80,93)(H,81,95)(H,82,98)(H,87,88)(H,89,90)(H4,69,70,72)/t34-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50254739
(CHEMBL4079223)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C133H217N45O30/c1-14-74(9)105(127(204)162-92(64-71(3)4)120(197)151-76(11)111(188)153-86(48-51-98(137)182)116(193)155-83(42-32-57-147-131(140)141)114(191)156-85(44-34-59-149-133(144)145)119(196)166-104(73(7)8)125(202)157-84(43-33-58-148-132(142)143)115(192)160-90(130(207)208)41-22-27-55-135)167-123(200)95(70-180)164-122(199)94(69-179)163-118(195)88(50-53-102(186)187)158-126(203)106(75(10)15-2)168-124(201)97-46-35-61-176(97)129(206)89(40-21-26-54-134)159-121(198)93(65-72(5)6)161-117(194)87(49-52-99(138)183)154-112(189)77(12)152-128(205)107(78(13)181)165-101(185)67-150-113(190)82(136)39-24-30-60-175-68-80(169-174-175)38-23-28-56-146-100(184)47-20-17-29-63-178-110-81(109(139)173-178)66-91(170-171-110)103-96-45-25-31-62-177(96)172-108(103)79-36-18-16-19-37-79/h16,18-19,25,31,36-37,45,62,66,68,71-78,82-90,92-95,97,104-107,179-181H,14-15,17,20-24,26-30,32-35,38-44,46-61,63-65,67,69-70,134-136H2,1-13H3,(H2,137,182)(H2,138,183)(H2,139,173)(H,146,184)(H,150,190)(H,151,197)(H,152,205)(H,153,188)(H,154,189)(H,155,193)(H,156,191)(H,157,202)(H,158,203)(H,159,198)(H,160,192)(H,161,194)(H,162,204)(H,163,195)(H,164,199)(H,165,185)(H,166,196)(H,167,200)(H,168,201)(H,186,187)(H,207,208)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t74-,75-,76-,77-,78+,82?,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,97-,104-,105-,106-,107-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated ERK2 (unknown origin) using myelin basic protein as substrate after 2 hrs in presence of ATP by ADP-glo assay |
ACS Med Chem Lett 8: 726-731 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00127
BindingDB Entry DOI: 10.7270/Q2ZW1PCV |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535198
(CHEMBL4440005)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN |r| Show InChI InChI=1S/C58H80N16O15S2/c1-30(2)48-57(89)70-40(23-32-11-15-35(78)16-12-32)52(84)68-38(8-5-20-64-58(61)62)50(82)63-21-18-47(80)67-42(26-75)54(86)69-41(24-33-25-65-37-7-4-3-6-36(33)37)53(85)71-43(27-76)55(87)72-44(49(60)81)28-90-91-29-45(56(88)74-48)73-51(83)39(66-46(79)17-19-59)22-31-9-13-34(77)14-10-31/h3-4,6-7,9-16,25,30,38-45,48,65,75-78H,5,8,17-24,26-29,59H2,1-2H3,(H2,60,81)(H,63,82)(H,66,79)(H,67,80)(H,68,84)(H,69,86)(H,70,89)(H,71,85)(H,72,87)(H,73,83)(H,74,88)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-,45-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535186
(CHEMBL4436732)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N |r| Show InChI InChI=1S/C63H87N17O16S2/c1-32(2)51-61(95)75-43(25-35-14-18-38(84)19-15-35)54(88)72-41(10-6-21-69-63(66)67)53(87)68-22-20-50(85)71-45(28-81)57(91)73-44(26-36-27-70-40-9-5-4-8-39(36)40)56(90)76-46(29-82)58(92)77-47(52(65)86)30-97-98-31-48(59(93)79-51)78-55(89)42(24-34-12-16-37(83)17-13-34)74-60(94)49-11-7-23-80(49)62(96)33(3)64/h4-5,8-9,12-19,27,32-33,41-49,51,70,81-84H,6-7,10-11,20-26,28-31,64H2,1-3H3,(H2,65,86)(H,68,87)(H,71,85)(H,72,88)(H,73,91)(H,74,94)(H,75,95)(H,76,90)(H,77,92)(H,78,89)(H,79,93)(H4,66,67,69)/t33-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535192
(CHEMBL4458170)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN |r| Show InChI InChI=1S/C59H82N16O15S2/c1-31(2)49-58(90)71-41(24-33-13-17-36(79)18-14-33)53(85)69-39(9-6-21-65-59(62)63)51(83)64-22-19-48(81)68-43(27-76)55(87)70-42(25-34-26-66-38-8-4-3-7-37(34)38)54(86)72-44(28-77)56(88)73-45(50(61)82)29-91-92-30-46(57(89)75-49)74-52(84)40(67-47(80)10-5-20-60)23-32-11-15-35(78)16-12-32/h3-4,7-8,11-18,26,31,39-46,49,66,76-79H,5-6,9-10,19-25,27-30,60H2,1-2H3,(H2,61,82)(H,64,83)(H,67,80)(H,68,81)(H,69,85)(H,70,87)(H,71,90)(H,72,86)(H,73,88)(H,74,84)(H,75,89)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535196
(CHEMBL4447628)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C60H82N16O15S2/c1-31(2)49-59(91)72-42(24-33-13-17-36(80)18-14-33)53(85)69-40(10-6-21-66-60(62)63)51(83)65-22-19-48(81)68-44(27-77)56(88)71-43(25-34-26-67-38-8-4-3-7-37(34)38)55(87)73-45(28-78)57(89)74-46(50(61)82)29-92-93-30-47(58(90)76-49)75-54(86)41(23-32-11-15-35(79)16-12-32)70-52(84)39-9-5-20-64-39/h3-4,7-8,11-18,26,31,39-47,49,64,67,77-80H,5-6,9-10,19-25,27-30H2,1-2H3,(H2,61,82)(H,65,83)(H,68,81)(H,69,85)(H,70,84)(H,71,88)(H,72,91)(H,73,87)(H,74,89)(H,75,86)(H,76,90)(H4,62,63,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535193
(CHEMBL4539149)Show SMILES CNCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H80N16O15S2/c1-30(2)48-57(89)70-40(22-32-12-16-35(78)17-13-32)52(84)68-38(9-6-19-64-58(60)61)50(82)63-20-18-46(79)67-42(26-75)54(86)69-41(23-33-24-65-37-8-5-4-7-36(33)37)53(85)71-43(27-76)55(87)72-44(49(59)81)28-90-91-29-45(56(88)74-48)73-51(83)39(66-47(80)25-62-3)21-31-10-14-34(77)15-11-31/h4-5,7-8,10-17,24,30,38-45,48,62,65,75-78H,6,9,18-23,25-29H2,1-3H3,(H2,59,81)(H,63,82)(H,66,80)(H,67,79)(H,68,84)(H,69,86)(H,70,89)(H,71,85)(H,72,87)(H,73,83)(H,74,88)(H4,60,61,64)/t38-,39-,40-,41-,42-,43-,44-,45-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535184
(CHEMBL4516686)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN |r| Show InChI InChI=1S/C57H78N16O15S2/c1-29(2)47-56(88)69-39(21-31-11-15-34(77)16-12-31)51(83)67-37(8-5-18-63-57(60)61)49(81)62-19-17-45(78)66-41(25-74)53(85)68-40(22-32-24-64-36-7-4-3-6-35(32)36)52(84)70-42(26-75)54(86)71-43(48(59)80)27-89-90-28-44(55(87)73-47)72-50(82)38(65-46(79)23-58)20-30-9-13-33(76)14-10-30/h3-4,6-7,9-16,24,29,37-44,47,64,74-77H,5,8,17-23,25-28,58H2,1-2H3,(H2,59,80)(H,62,81)(H,65,79)(H,66,78)(H,67,83)(H,68,85)(H,69,88)(H,70,84)(H,71,86)(H,72,82)(H,73,87)(H4,60,61,63)/t37-,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535182
(CHEMBL4449863)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N |r| Show InChI InChI=1S/C63H87N17O16S2/c1-32(2)51-61(95)75-43(25-35-14-18-38(84)19-15-35)54(88)72-41(10-6-21-69-63(66)67)53(87)68-22-20-50(85)71-45(28-81)57(91)73-44(26-36-27-70-40-9-5-4-8-39(36)40)56(90)76-46(29-82)58(92)77-47(52(65)86)30-97-98-31-48(59(93)79-51)78-55(89)42(24-34-12-16-37(83)17-13-34)74-60(94)49-11-7-23-80(49)62(96)33(3)64/h4-5,8-9,12-19,27,32-33,41-49,51,70,81-84H,6-7,10-11,20-26,28-31,64H2,1-3H3,(H2,65,86)(H,68,87)(H,71,85)(H,72,88)(H,73,91)(H,74,94)(H,75,95)(H,76,90)(H,77,92)(H,78,89)(H,79,93)(H4,66,67,69)/t33-,41+,42+,43+,44+,45+,46+,47+,48+,49+,51+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535200
(CHEMBL4434643)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCN |r| Show InChI InChI=1S/C60H84N16O15S2/c1-32(2)50-59(91)72-42(25-34-14-18-37(80)19-15-34)54(86)70-40(10-7-22-66-60(63)64)52(84)65-23-20-49(82)69-44(28-77)56(88)71-43(26-35-27-67-39-9-4-3-8-38(35)39)55(87)73-45(29-78)57(89)74-46(51(62)83)30-92-93-31-47(58(90)76-50)75-53(85)41(68-48(81)11-5-6-21-61)24-33-12-16-36(79)17-13-33/h3-4,8-9,12-19,27,32,40-47,50,67,77-80H,5-7,10-11,20-26,28-31,61H2,1-2H3,(H2,62,83)(H,65,84)(H,68,81)(H,69,82)(H,70,86)(H,71,88)(H,72,91)(H,73,87)(H,74,89)(H,75,85)(H,76,90)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535181
(CHEMBL4436577)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN |r| Show InChI InChI=1S/C61H86N16O15S2/c1-33(2)51-60(92)73-43(26-35-15-19-38(81)20-16-35)55(87)71-41(11-8-23-67-61(64)65)53(85)66-24-21-50(83)70-45(29-78)57(89)72-44(27-36-28-68-40-10-6-5-9-39(36)40)56(88)74-46(30-79)58(90)75-47(52(63)84)31-93-94-32-48(59(91)77-51)76-54(86)42(25-34-13-17-37(80)18-14-34)69-49(82)12-4-3-7-22-62/h5-6,9-10,13-20,28,33,41-48,51,68,78-81H,3-4,7-8,11-12,21-27,29-32,62H2,1-2H3,(H2,63,84)(H,66,85)(H,69,82)(H,70,83)(H,71,87)(H,72,89)(H,73,92)(H,74,88)(H,75,90)(H,76,86)(H,77,91)(H4,64,65,67)/t41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535197
(CHEMBL4474623)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O |r| Show InChI InChI=1S/C63H86N16O17S2/c1-32(2)51-61(95)74-43(25-35-14-18-38(84)19-15-35)54(88)71-41(10-6-21-68-63(65)66)53(87)67-22-20-50(85)70-45(28-80)57(91)72-44(26-36-27-69-40-9-5-4-8-39(36)40)56(90)75-46(29-81)58(92)76-47(52(64)86)30-97-98-31-48(59(93)78-51)77-55(89)42(24-34-12-16-37(83)17-13-34)73-60(94)49-11-7-23-79(49)62(96)33(3)82/h4-5,8-9,12-19,27,32-33,41-49,51,69,80-84H,6-7,10-11,20-26,28-31H2,1-3H3,(H2,64,86)(H,67,87)(H,70,85)(H,71,88)(H,72,91)(H,73,94)(H,74,95)(H,75,90)(H,76,92)(H,77,89)(H,78,93)(H4,65,66,68)/t33-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535185
(CHEMBL4464968)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r| Show InChI InChI=1S/C63H87N17O16S2/c1-33(2)52-62(96)75-43(26-35-13-17-38(84)18-14-35)55(89)72-41(9-5-22-69-63(66)67)54(88)68-23-20-50(85)71-45(29-81)58(92)73-44(27-36-28-70-40-8-4-3-7-39(36)40)57(91)76-46(30-82)59(93)77-47(53(65)87)31-97-98-32-48(60(94)79-52)78-56(90)42(25-34-11-15-37(83)16-12-34)74-61(95)49-10-6-24-80(49)51(86)19-21-64/h3-4,7-8,11-18,28,33,41-49,52,70,81-84H,5-6,9-10,19-27,29-32,64H2,1-2H3,(H2,65,87)(H,68,88)(H,71,85)(H,72,89)(H,73,92)(H,74,95)(H,75,96)(H,76,91)(H,77,93)(H,78,90)(H,79,94)(H4,66,67,69)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 ug/ml ephrinA5-induced human EphA4 tyrosine phosphorylation expressed in HEK293AD cells preincubated for 20 mins followed by ephrin... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535190
(CHEMBL4520376)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN |r| Show InChI InChI=1S/C61H87N17O15S2/c1-32(2)50-60(93)74-43(25-34-14-18-37(82)19-15-34)54(87)71-41(11-7-22-68-61(65)66)53(86)67-23-20-49(83)70-45(28-79)57(90)73-44(26-35-27-69-40-10-4-3-8-38(35)40)56(89)75-46(29-80)58(91)76-47(51(64)84)30-94-95-31-48(59(92)78-50)77-55(88)42(24-33-12-16-36(81)17-13-33)72-52(85)39(63)9-5-6-21-62/h3-4,8,10,12-19,27,32,39,41-48,50,69,79-82H,5-7,9,11,20-26,28-31,62-63H2,1-2H3,(H2,64,84)(H,67,86)(H,70,83)(H,71,87)(H,72,85)(H,73,90)(H,74,93)(H,75,89)(H,76,91)(H,77,88)(H,78,92)(H4,65,66,68)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535183
(CHEMBL4569881)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1 |r| Show InChI InChI=1S/C60H80N16O16S2/c1-30(2)49-59(92)72-41(23-32-11-15-35(80)16-12-32)53(86)69-38(8-5-20-65-60(62)63)51(84)64-21-19-48(82)68-43(26-77)56(89)71-42(24-33-25-66-37-7-4-3-6-36(33)37)55(88)73-44(27-78)57(90)74-45(50(61)83)28-93-94-29-46(58(91)76-49)75-54(87)40(22-31-9-13-34(79)14-10-31)70-52(85)39-17-18-47(81)67-39/h3-4,6-7,9-16,25,30,38-46,49,66,77-80H,5,8,17-24,26-29H2,1-2H3,(H2,61,83)(H,64,84)(H,67,81)(H,68,82)(H,69,86)(H,70,85)(H,71,89)(H,72,92)(H,73,88)(H,74,90)(H,75,87)(H,76,91)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428223
(CHEMBL2337010)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O |r,wU:179.187,157.167,120.124,102.114,74.90,51.62,41.43,13.22,4.4,206.215,wD:165.183,152.158,140.154,133.136,124.128,114.120,91.101,63.73,45.49,36.38,25.25,8.8,192.199,(15.77,-41.25,;14.37,-41.83,;14.16,-43.37,;13.13,-40.88,;11.73,-41.46,;10.52,-40.53,;10.73,-38.99,;12.13,-38.4,;9.52,-38.06,;8.09,-38.65,;9.72,-36.51,;8.51,-35.59,;7.08,-36.18,;8.72,-34.05,;10.13,-33.46,;11.36,-34.41,;11.14,-35.95,;12.35,-36.9,;13.77,-36.32,;15,-37.26,;13.99,-34.8,;12.78,-33.85,;7.5,-33.11,;7.7,-31.59,;9.13,-30.99,;6.49,-30.65,;5.09,-31.3,;4.17,-29.9,;5.21,-28.59,;6.79,-29.16,;8.12,-28.41,;8.13,-26.87,;9.45,-29.19,;10.79,-28.43,;12.11,-29.21,;12.1,-30.75,;13.46,-28.46,;13.47,-26.92,;14.78,-29.24,;16.12,-28.48,;16.14,-26.94,;17.45,-29.26,;18.79,-28.51,;20.12,-29.29,;20.1,-30.83,;21.46,-28.53,;21.47,-26.99,;22.81,-26.23,;22.78,-29.31,;24.12,-28.56,;24.14,-27.02,;25.45,-29.34,;25.44,-30.88,;24.1,-31.64,;24.08,-33.17,;22.74,-33.93,;21.42,-33.15,;20.08,-33.91,;21.43,-31.61,;22.77,-30.85,;26.79,-28.58,;28.12,-29.36,;28.1,-30.9,;29.46,-28.61,;29.47,-27.07,;28.15,-26.28,;28.16,-24.74,;26.84,-23.96,;26.85,-22.42,;28.19,-21.66,;25.52,-21.64,;30.79,-29.39,;32.13,-28.63,;32.14,-27.09,;33.45,-29.41,;33.44,-30.95,;32.1,-31.71,;32.08,-33.25,;33.41,-34.03,;33.39,-35.57,;32.05,-36.33,;30.73,-35.55,;32.05,-37.86,;33.37,-38.67,;33.34,-40.22,;34.66,-41.01,;34.62,-42.56,;35.95,-43.37,;34.79,-28.66,;36.12,-29.44,;36.11,-30.98,;37.46,-28.68,;37.48,-27.14,;36.15,-26.36,;36.16,-24.82,;34.84,-24.04,;34.85,-22.5,;36.19,-21.74,;33.52,-21.71,;38.79,-29.46,;40.13,-28.71,;40.14,-27.17,;41.45,-29.49,;41.44,-31.03,;40.1,-31.79,;40.08,-33.32,;38.75,-34.08,;37.42,-33.3,;36.08,-34.06,;37.43,-31.76,;38.77,-31,;42.8,-28.73,;44.12,-29.51,;44.11,-31.05,;45.46,-28.76,;45.48,-27.22,;46.82,-26.46,;46.79,-29.54,;48.13,-28.78,;48.14,-27.24,;49.46,-29.56,;50.8,-28.81,;52.12,-29.59,;52.11,-31.13,;53.47,-28.83,;53.48,-27.29,;54.79,-29.61,;56.13,-28.86,;56.15,-27.32,;57.46,-29.64,;58.8,-28.88,;60.08,-29.74,;59.97,-31.28,;61.46,-29.07,;61.49,-27.51,;63.15,-27.29,;63.87,-28.81,;62.66,-29.97,;62.75,-31.51,;61.47,-32.36,;64.13,-32.2,;65.41,-31.35,;66.79,-32.04,;66.88,-33.58,;68.26,-34.27,;69.54,-33.42,;70.92,-34.11,;69.45,-31.89,;68.08,-31.2,;64.22,-33.74,;62.93,-34.59,;61.56,-33.9,;63.02,-36.12,;64.4,-36.81,;61.74,-36.97,;61.83,-38.51,;63.21,-39.2,;60.54,-39.36,;59.17,-38.67,;59.08,-37.13,;57.7,-36.44,;60.36,-36.28,;60.63,-40.89,;59.35,-41.74,;57.97,-41.05,;59.44,-43.28,;60.82,-43.97,;62.1,-43.12,;62.17,-41.58,;63.66,-41.17,;64.5,-42.46,;66.02,-42.69,;66.59,-44.12,;65.63,-45.33,;64.1,-45.09,;63.54,-43.66,;58.15,-44.13,;58.25,-45.66,;59.62,-46.35,;56.96,-46.51,;57.05,-48.05,;55.58,-45.82,;55.49,-44.28,;49.44,-31.1,;50.77,-31.89,;48.1,-31.86,;17.43,-30.8,;18.76,-31.59,;16.09,-31.56,;11.52,-43,;10.08,-43.6,;12.73,-43.93,;12.52,-45.48,;11.08,-46.07,;10.88,-47.58,;11.97,-48.64,;11.3,-50.03,;9.77,-49.81,;8.6,-50.81,;7.15,-50.28,;6.89,-48.77,;8.06,-47.77,;9.5,-48.3,;13.73,-46.4,;15.14,-45.82,;13.53,-47.95,;14.73,-48.87,;16.14,-48.29,;17.37,-49.24,;14.53,-50.42,;15.73,-51.35,;13.09,-51.02,)| Show InChI InChI=1S/C142H205N35O35/c1-74(2)58-100(165-131(202)105(164-122(193)94(144)70-178)64-86-66-152-95-28-17-15-26-92(86)95)126(197)157-81(12)120(191)170-107(63-85-42-50-91(185)51-43-85)139(210)177-57-25-33-111(177)135(206)154-68-114(187)156-79(10)121(192)174-117(77(7)8)138(209)172-108(71-179)133(204)167-103(61-83-38-46-89(183)47-39-83)129(200)162-98(31-22-54-150-141(145)146)124(195)160-97(30-19-21-53-149-113(186)35-14-13-20-52-143)123(194)161-99(32-23-55-151-142(147)148)125(196)166-104(62-84-40-48-90(184)49-41-84)130(201)171-109(72-180)134(205)175-116(76(5)6)137(208)159-78(9)118(189)155-69-115(188)176-56-24-34-112(176)136(207)169-102(60-82-36-44-88(182)45-37-82)127(198)158-80(11)119(190)163-101(59-75(3)4)128(199)168-106(132(203)173-110(73-181)140(211)212)65-87-67-153-96-29-18-16-27-93(87)96/h15-18,26-29,36-51,66-67,74-81,94,97-112,116-117,152-153,178-185H,13-14,19-25,30-35,52-65,68-73,143-144H2,1-12H3,(H,149,186)(H,154,206)(H,155,189)(H,156,187)(H,157,197)(H,158,198)(H,159,208)(H,160,195)(H,161,194)(H,162,200)(H,163,190)(H,164,193)(H,165,202)(H,166,196)(H,167,204)(H,168,199)(H,169,207)(H,170,191)(H,171,201)(H,172,209)(H,173,203)(H,174,192)(H,175,205)(H,211,212)(H4,145,146,150)(H4,147,148,151)/t78-,79-,80-,81-,94-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,116-,117-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incub... |
ACS Med Chem Lett 4: (2013)
Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535195
(CHEMBL4530593)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r| Show InChI InChI=1S/C67H91N17O18S2/c1-35(2)56-66(102)80-47(30-37-13-17-40(86)18-14-37)61(97)76-43(9-5-26-73-67(70)71)58(94)72-27-24-52(87)75-44(19-21-54(89)90)59(95)78-48(31-38-32-74-42-8-4-3-7-41(38)42)63(99)77-45(20-22-55(91)92)60(96)81-49(57(69)93)33-103-104-34-50(64(100)83-56)82-62(98)46(29-36-11-15-39(85)16-12-36)79-65(101)51-10-6-28-84(51)53(88)23-25-68/h3-4,7-8,11-18,32,35,43-51,56,74,85-86H,5-6,9-10,19-31,33-34,68H2,1-2H3,(H2,69,93)(H,72,94)(H,75,87)(H,76,97)(H,77,99)(H,78,95)(H,79,101)(H,80,102)(H,81,96)(H,82,98)(H,83,100)(H,89,90)(H,91,92)(H4,70,71,73)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.4 ug/ml ephrinA5-induced human EphA4 tyrosine phosphorylation expressed in HEK293AD cells preincubated for 20 mins followed by ephrin... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535189
(CHEMBL4442705)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C62H84N16O16S2/c1-32(2)51-61(94)73-43(25-35-14-18-38(83)19-15-35)54(87)70-41(10-6-21-67-62(64)65)53(86)66-22-20-50(84)69-45(28-79)57(90)71-44(26-36-27-68-40-9-5-4-8-39(36)40)56(89)74-46(29-80)58(91)75-47(52(63)85)30-95-96-31-48(59(92)77-51)76-55(88)42(24-34-12-16-37(82)17-13-34)72-60(93)49-11-7-23-78(49)33(3)81/h4-5,8-9,12-19,27,32,41-49,51,68,79-80,82-83H,6-7,10-11,20-26,28-31H2,1-3H3,(H2,63,85)(H,66,86)(H,69,84)(H,70,87)(H,71,90)(H,72,93)(H,73,94)(H,74,89)(H,75,91)(H,76,88)(H,77,92)(H4,64,65,67)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428221
(CHEMBL2337012)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O |r,wU:172.179,150.159,113.116,95.106,67.82,51.53,41.43,13.22,4.4,199.207,wD:158.175,145.150,133.146,126.128,117.120,107.112,84.93,56.65,45.49,36.38,25.25,8.8,185.191,(15.96,-36.31,;14.55,-36.89,;14.35,-38.43,;13.31,-35.94,;11.91,-36.52,;10.7,-35.59,;10.91,-34.05,;12.31,-33.47,;9.7,-33.12,;8.27,-33.71,;9.9,-31.58,;8.7,-30.65,;7.27,-31.24,;8.9,-29.11,;10.31,-28.52,;11.53,-29.46,;11.32,-30.99,;12.54,-31.92,;13.96,-31.34,;15.19,-32.27,;14.16,-29.8,;12.94,-28.87,;7.68,-28.17,;7.88,-26.65,;9.31,-26.06,;6.68,-25.71,;5.27,-26.36,;4.35,-24.96,;5.39,-23.65,;6.97,-24.22,;8.31,-23.47,;8.32,-21.93,;9.63,-24.25,;10.97,-23.49,;12.3,-24.27,;12.28,-25.81,;13.64,-23.52,;13.65,-21.98,;14.96,-24.3,;16.3,-23.54,;16.32,-22,;17.63,-24.32,;18.97,-23.57,;20.3,-24.35,;20.28,-25.89,;21.64,-23.59,;21.65,-22.05,;22.99,-21.29,;22.97,-24.37,;24.31,-23.62,;24.32,-22.08,;25.63,-24.4,;25.62,-25.94,;26.97,-23.64,;28.3,-24.42,;28.29,-25.96,;29.64,-23.67,;29.65,-22.13,;28.33,-21.34,;28.34,-19.8,;27.02,-19.02,;27.03,-17.48,;28.37,-16.72,;25.7,-16.7,;30.97,-24.45,;32.31,-23.69,;32.32,-22.15,;33.63,-24.47,;33.62,-26.01,;32.28,-26.77,;32.26,-28.31,;33.59,-29.09,;33.58,-30.63,;32.24,-31.39,;30.91,-30.61,;32.23,-32.93,;33.55,-33.73,;33.52,-35.28,;34.84,-36.07,;34.8,-37.62,;36.13,-38.43,;34.98,-23.72,;36.3,-24.5,;36.29,-26.04,;37.64,-23.74,;37.66,-22.2,;36.33,-21.42,;36.34,-19.88,;35.02,-19.1,;35.03,-17.56,;36.37,-16.8,;33.71,-16.77,;38.97,-24.52,;40.31,-23.77,;40.32,-22.23,;41.64,-24.55,;41.62,-26.09,;40.28,-26.85,;40.27,-28.39,;38.93,-29.14,;37.6,-28.36,;36.26,-29.12,;37.62,-26.82,;38.96,-26.07,;42.98,-23.79,;44.3,-24.57,;44.29,-26.11,;45.64,-23.82,;45.66,-22.28,;47,-21.52,;46.97,-24.6,;48.31,-23.84,;48.33,-22.3,;49.64,-24.62,;50.98,-23.87,;52.31,-24.65,;52.29,-26.19,;53.65,-23.89,;53.66,-22.35,;54.97,-24.67,;56.31,-23.92,;56.33,-22.38,;57.64,-24.7,;58.98,-23.94,;60.26,-24.8,;60.15,-26.34,;61.64,-24.13,;61.67,-22.58,;63.33,-22.36,;64.05,-23.87,;62.84,-25.04,;62.93,-26.57,;61.65,-27.42,;64.31,-27.26,;65.6,-26.41,;66.97,-27.1,;67.06,-28.64,;68.43,-29.33,;69.72,-28.48,;71.1,-29.17,;69.62,-26.94,;68.25,-26.25,;64.4,-28.8,;63.11,-29.65,;61.74,-28.96,;63.21,-31.18,;64.58,-31.87,;61.92,-32.03,;62.01,-33.57,;63.39,-34.26,;60.73,-34.42,;59.35,-33.73,;59.26,-32.19,;57.88,-31.5,;60.54,-31.34,;60.82,-35.95,;59.53,-36.8,;58.15,-36.11,;59.62,-38.34,;61,-39.03,;62.28,-38.18,;62.35,-36.64,;63.84,-36.24,;64.68,-37.52,;66.21,-37.75,;66.77,-39.18,;65.81,-40.39,;64.29,-40.16,;63.72,-38.72,;58.34,-39.19,;58.43,-40.72,;59.8,-41.41,;57.14,-41.57,;57.23,-43.11,;55.76,-40.88,;55.67,-39.34,;49.62,-26.16,;50.95,-26.95,;48.28,-26.92,;17.62,-25.86,;18.94,-26.65,;16.27,-26.62,;11.7,-38.06,;10.26,-38.66,;12.91,-38.99,;12.71,-40.54,;11.26,-41.13,;11.07,-42.64,;12.15,-43.7,;11.48,-45.09,;9.95,-44.88,;8.78,-45.87,;7.33,-45.34,;7.07,-43.83,;8.24,-42.84,;9.69,-43.36,;13.91,-41.46,;15.32,-40.88,;13.71,-43.01,;14.91,-43.94,;16.32,-43.35,;17.56,-44.3,;14.71,-45.48,;15.92,-46.41,;13.27,-46.08,)| Show InChI InChI=1S/C136H201N35O34/c1-70(2)55-95(160-125(195)99(159-117(187)89(138)66-172)60-82-62-146-90-29-18-16-27-87(82)90)121(191)152-77(12)114(184)164-101(59-81-41-47-86(178)48-42-81)133(203)171-54-26-34-105(171)129(199)148-64-108(180)150-75(10)116(186)168-111(73(7)8)132(202)166-102(67-173)127(197)161-98(58-80-39-45-85(177)46-40-80)124(194)157-94(33-24-52-145-136(141)142)120(190)155-92(31-20-22-50-143-107(179)36-15-14-21-49-137)119(189)156-93(32-23-51-144-135(139)140)118(188)151-78(13)115(185)165-103(68-174)128(198)169-110(72(5)6)131(201)154-74(9)112(182)149-65-109(181)170-53-25-35-106(170)130(200)163-97(57-79-37-43-84(176)44-38-79)122(192)153-76(11)113(183)158-96(56-71(3)4)123(193)162-100(126(196)167-104(69-175)134(204)205)61-83-63-147-91-30-19-17-28-88(83)91/h16-19,27-30,37-48,62-63,70-78,89,92-106,110-111,146-147,172-178H,14-15,20-26,31-36,49-61,64-69,137-138H2,1-13H3,(H,143,179)(H,148,199)(H,149,182)(H,150,180)(H,151,188)(H,152,191)(H,153,192)(H,154,201)(H,155,190)(H,156,189)(H,157,194)(H,158,183)(H,159,187)(H,160,195)(H,161,197)(H,162,193)(H,163,200)(H,164,184)(H,165,185)(H,166,202)(H,167,196)(H,168,186)(H,169,198)(H,204,205)(H4,139,140,144)(H4,141,142,145)/t74-,75-,76-,77-,78-,89-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,110-,111-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incub... |
ACS Med Chem Lett 4: (2013)
Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535191
(CHEMBL4522324)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C61H82N18O15S2/c1-31(2)50-60(94)75-43(21-33-11-15-37(83)16-12-33)54(88)72-41(8-5-18-68-61(64)65)53(87)67-19-17-49(84)71-45(26-80)57(91)74-44(22-34-24-69-40-7-4-3-6-38(34)40)56(90)76-46(27-81)58(92)77-47(51(63)85)28-95-96-29-48(59(93)79-50)78-55(89)42(20-32-9-13-36(82)14-10-32)73-52(86)39(62)23-35-25-66-30-70-35/h3-4,6-7,9-16,24-25,30-31,39,41-48,50,69,80-83H,5,8,17-23,26-29,62H2,1-2H3,(H2,63,85)(H,66,70)(H,67,87)(H,71,84)(H,72,88)(H,73,86)(H,74,91)(H,75,94)(H,76,90)(H,77,92)(H,78,89)(H,79,93)(H4,64,65,68)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428224
(CHEMBL2337009)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O |r,wU:185.193,163.173,126.130,108.120,74.96,51.62,41.43,13.22,4.4,212.221,wD:171.189,158.164,146.160,139.142,130.134,120.126,97.107,63.73,45.49,36.38,25.25,8.8,198.205,(14.19,-10.02,;12.79,-10.6,;12.58,-12.14,;11.55,-9.65,;10.14,-10.23,;8.94,-9.3,;9.14,-7.76,;10.55,-7.18,;7.94,-6.83,;6.51,-7.42,;8.14,-5.29,;6.93,-4.36,;5.5,-4.95,;7.13,-2.82,;8.55,-2.23,;9.78,-3.18,;9.56,-4.72,;10.77,-5.67,;12.19,-5.09,;13.41,-6.03,;12.41,-3.57,;11.19,-2.62,;5.92,-1.88,;6.12,-.36,;7.55,.25,;4.91,.59,;3.51,-.07,;2.59,1.33,;3.63,2.65,;5.21,2.07,;6.54,2.82,;6.55,4.36,;7.86,2.05,;9.21,2.8,;10.53,2.03,;10.52,.49,;11.87,2.78,;11.89,4.32,;13.2,1.99,;14.54,2.76,;14.55,4.3,;15.87,1.97,;17.21,2.74,;18.53,1.95,;18.52,.41,;19.87,2.7,;19.89,4.24,;21.23,5.01,;21.2,1.93,;22.54,2.68,;22.56,4.22,;23.87,1.91,;23.85,.37,;22.51,-.41,;22.5,-1.95,;21.16,-2.7,;19.83,-1.92,;18.49,-2.68,;19.85,-.38,;21.19,.39,;25.21,2.66,;26.53,1.87,;26.52,.33,;27.88,2.63,;27.89,4.17,;26.56,4.95,;26.58,6.49,;25.25,7.28,;25.27,8.82,;26.61,9.57,;23.94,9.59,;29.2,1.85,;30.54,2.6,;30.56,4.14,;31.87,1.82,;31.85,.28,;30.51,-.48,;30.5,-2.02,;31.83,-2.8,;31.81,-4.34,;30.47,-5.1,;29.14,-4.32,;30.46,-6.64,;31.79,-7.44,;31.75,-8.99,;33.07,-9.78,;33.04,-11.33,;34.36,-12.14,;34.33,-13.69,;35.66,-14.49,;35.62,-16.04,;36.95,-16.84,;36.91,-18.39,;35.56,-19.13,;33.21,2.58,;34.54,1.8,;34.52,.26,;35.88,2.55,;35.89,4.09,;34.56,4.88,;34.58,6.42,;33.25,7.2,;33.27,8.74,;34.61,9.5,;31.94,9.52,;37.2,1.77,;38.54,2.53,;38.56,4.07,;39.87,1.74,;39.86,.2,;38.51,-.56,;38.5,-2.1,;37.16,-2.85,;35.84,-2.07,;34.49,-2.83,;35.85,-.53,;37.19,.23,;41.21,2.51,;42.54,1.72,;42.52,.18,;43.88,2.47,;43.89,4.01,;45.23,4.78,;45.2,1.7,;46.54,2.45,;46.56,3.99,;47.87,1.68,;49.21,2.43,;50.54,1.64,;50.52,.1,;51.88,2.41,;51.89,3.95,;53.21,1.62,;54.55,2.39,;54.56,3.93,;55.87,1.6,;57.21,2.35,;58.49,1.5,;58.38,-.05,;59.87,2.16,;59.9,3.72,;61.56,3.94,;62.29,2.43,;61.07,1.27,;61.16,-.28,;59.88,-1.13,;62.54,-.97,;63.83,-.12,;65.2,-.81,;65.3,-2.35,;66.67,-3.04,;67.96,-2.19,;69.33,-2.88,;67.86,-.66,;66.49,.05,;62.63,-2.51,;61.35,-3.36,;59.97,-2.67,;61.44,-4.89,;62.81,-5.58,;60.15,-5.74,;60.24,-7.28,;61.62,-7.97,;58.96,-8.13,;57.58,-7.44,;57.49,-5.9,;56.11,-5.21,;58.78,-5.05,;59.05,-9.66,;57.76,-10.51,;56.39,-9.82,;57.85,-12.05,;59.23,-12.74,;60.52,-11.89,;60.59,-10.35,;62.07,-9.95,;62.92,-11.23,;64.44,-11.46,;65,-12.89,;64.04,-14.1,;62.52,-13.87,;61.96,-12.43,;56.57,-12.9,;56.66,-14.43,;58.04,-15.12,;55.37,-15.28,;55.46,-16.82,;54,-14.59,;53.91,-13.05,;47.86,.14,;49.18,-.66,;46.52,-.63,;15.85,.43,;17.18,-.36,;14.51,-.33,;9.94,-11.77,;8.5,-12.37,;11.15,-12.7,;10.94,-14.25,;9.5,-14.84,;9.3,-16.35,;10.39,-17.41,;9.71,-18.8,;8.19,-18.58,;7.01,-19.57,;5.57,-19.05,;5.31,-17.53,;6.48,-16.54,;7.92,-17.07,;12.15,-15.17,;13.55,-14.59,;11.94,-16.72,;13.15,-17.64,;14.56,-17.06,;15.79,-18.01,;12.95,-19.19,;14.15,-20.12,;11.5,-19.79,)| Show InChI InChI=1S/C148H217N35O35/c1-80(2)64-106(171-137(208)111(170-128(199)100(150)76-184)70-92-72-158-101-34-23-21-32-98(92)101)132(203)163-87(12)126(197)176-113(69-91-48-56-97(191)57-49-91)145(216)183-63-31-39-117(183)141(212)160-74-120(193)162-85(10)127(198)180-123(83(7)8)144(215)178-114(77-185)139(210)173-109(67-89-44-52-95(189)53-45-89)135(206)168-104(37-28-60-156-147(151)152)130(201)166-103(36-25-27-59-155-119(192)41-20-18-16-14-13-15-17-19-26-58-149)129(200)167-105(38-29-61-157-148(153)154)131(202)172-110(68-90-46-54-96(190)55-47-90)136(207)177-115(78-186)140(211)181-122(82(5)6)143(214)165-84(9)124(195)161-75-121(194)182-62-30-40-118(182)142(213)175-108(66-88-42-50-94(188)51-43-88)133(204)164-86(11)125(196)169-107(65-81(3)4)134(205)174-112(138(209)179-116(79-187)146(217)218)71-93-73-159-102-35-24-22-33-99(93)102/h21-24,32-35,42-57,72-73,80-87,100,103-118,122-123,158-159,184-191H,13-20,25-31,36-41,58-71,74-79,149-150H2,1-12H3,(H,155,192)(H,160,212)(H,161,195)(H,162,193)(H,163,203)(H,164,204)(H,165,214)(H,166,201)(H,167,200)(H,168,206)(H,169,196)(H,170,199)(H,171,208)(H,172,202)(H,173,210)(H,174,205)(H,175,213)(H,176,197)(H,177,207)(H,178,215)(H,179,209)(H,180,198)(H,181,211)(H,217,218)(H4,151,152,156)(H4,153,154,157)/t84-,85-,86-,87-,100-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,122-,123-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incub... |
ACS Med Chem Lett 4: (2013)
Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50254743
(CHEMBL4098959)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)Cn1nc(N)c2cc(nnc12)-c1c(nn2ccccc12)-c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C93H143N23O21/c1-9-57(5)77(107-89(128)78(58(6)10-2)106-85(124)66(34-35-75(119)120)101-73(117)36-45-134-47-49-136-51-52-137-50-48-135-46-40-98-74(118)55-116-81-62(80(97)111-116)54-67(108-109-81)76-69-30-17-21-44-115(69)110-79(76)61-25-12-11-13-26-61)88(127)104-65(29-16-20-39-96)84(123)105-68(53-56(3)4)86(125)99-59(7)90(129)113-42-23-32-71(113)92(131)114-43-24-33-72(114)91(130)112-41-22-31-70(112)87(126)103-64(28-15-19-38-95)83(122)102-63(27-14-18-37-94)82(121)100-60(8)93(132)133/h11-13,17,21,25-26,30,44,54,56-60,63-66,68,70-72,77-78H,9-10,14-16,18-20,22-24,27-29,31-43,45-53,55,94-96H2,1-8H3,(H2,97,111)(H,98,118)(H,99,125)(H,100,121)(H,101,117)(H,102,122)(H,103,126)(H,104,127)(H,105,123)(H,106,124)(H,107,128)(H,119,120)(H,132,133)/t57-,58-,59-,60-,63-,64-,65-,66-,68-,70-,71-,72-,77-,78-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.
Curated by ChEMBL
| Assay Description
Binding affinity to non-phosphorylated full length N-terminal His6-tagged/SUMO-fused ERK2 (1 to 360 residues) (unknown origin) by isothermal titratio... |
ACS Med Chem Lett 8: 726-731 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00127
BindingDB Entry DOI: 10.7270/Q2ZW1PCV |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535188
(CHEMBL4591478)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C65H89N17O17S2/c1-33(2)53-63(98)77-45(26-37-15-19-40(87)20-16-37)56(91)74-43(11-7-22-70-65(67)68)55(90)69-23-21-52(88)73-47(29-83)59(94)75-46(27-38-28-71-42-10-6-5-9-41(38)42)58(93)78-48(30-84)60(95)79-49(54(66)89)31-100-101-32-50(61(96)81-53)80-57(92)44(25-36-13-17-39(86)18-14-36)76-62(97)51-12-8-24-82(51)64(99)34(3)72-35(4)85/h5-6,9-10,13-20,28,33-34,43-51,53,71,83-84,86-87H,7-8,11-12,21-27,29-32H2,1-4H3,(H2,66,89)(H,69,90)(H,72,85)(H,73,88)(H,74,91)(H,75,94)(H,76,97)(H,77,98)(H,78,93)(H,79,95)(H,80,92)(H,81,96)(H4,67,68,70)/t34-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428225
(CHEMBL2337008)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.24,4.4,62.65,173.181,185.194,137.145,115.125,78.82,147.154,159.167,wD:8.20,29.31,34.35,49.53,57.61,69.72,123.141,110.116,98.112,91.94,82.86,74.78,(43.15,-44.99,;44.62,-45.41,;45.73,-44.34,;45,-46.91,;46.48,-47.33,;46.86,-48.82,;45.75,-49.89,;44.27,-49.48,;46.05,-51.4,;47.51,-51.9,;48.67,-50.89,;48.53,-49.35,;49.95,-48.74,;50.96,-49.9,;52.5,-49.92,;53.25,-51.27,;52.47,-52.59,;50.92,-52.57,;50.18,-51.23,;44.95,-52.48,;45.34,-53.97,;46.81,-54.39,;44.23,-55.04,;44.61,-56.54,;42.74,-54.63,;42.37,-53.13,;47.59,-46.25,;49.07,-46.67,;47.21,-44.76,;48.32,-43.68,;49.79,-44.11,;47.93,-42.19,;46.46,-41.77,;49.04,-41.12,;48.66,-39.62,;49.77,-38.55,;51.25,-38.97,;51.63,-40.46,;53.11,-40.88,;54.21,-39.81,;55.69,-40.22,;53.83,-38.31,;52.35,-37.9,;47.18,-39.21,;46.08,-40.28,;46.8,-37.71,;47.79,-36.53,;46.97,-35.23,;45.48,-35.6,;45.37,-37.14,;44.07,-37.96,;44.05,-39.5,;42.75,-37.17,;41.4,-37.93,;40.08,-37.14,;40.1,-35.59,;38.74,-37.88,;37.41,-37.1,;37.43,-35.56,;36.07,-37.85,;36.05,-39.39,;34.75,-37.06,;33.4,-37.82,;33.38,-39.35,;34.7,-40.14,;32.03,-40.11,;32.08,-37.03,;32.1,-35.48,;30.74,-37.77,;29.41,-36.99,;29.43,-35.45,;30.78,-34.7,;30.8,-33.16,;32.14,-32.39,;32.15,-30.86,;30.82,-30.08,;29.48,-30.83,;29.47,-32.38,;28.16,-30.05,;26.82,-30.81,;25.49,-30.03,;25.5,-28.49,;24.15,-30.79,;24.14,-32.33,;22.82,-30.01,;21.48,-30.77,;21.47,-32.31,;20.16,-29.99,;18.81,-30.75,;17.49,-29.97,;17.5,-28.42,;16.18,-30.8,;16.09,-32.34,;14.6,-32.72,;13.77,-31.42,;14.75,-30.24,;14.37,-28.74,;15.47,-27.66,;12.88,-28.33,;11.78,-29.41,;10.3,-29.01,;9.91,-27.51,;8.43,-27.1,;7.33,-28.18,;5.85,-27.77,;7.72,-29.67,;9.2,-30.09,;12.5,-26.84,;13.6,-25.75,;15.08,-26.17,;13.21,-24.27,;11.73,-23.85,;14.31,-23.18,;13.92,-21.7,;12.44,-21.28,;15.02,-20.62,;16.51,-21.03,;16.89,-22.52,;18.37,-22.93,;15.79,-23.6,;14.64,-19.12,;15.74,-18.04,;17.22,-18.45,;15.43,-16.54,;13.97,-16.04,;12.81,-17.06,;12.96,-18.6,;11.54,-19.22,;10.53,-18.06,;8.99,-18.05,;8.23,-16.71,;9.01,-15.38,;10.55,-15.39,;11.31,-16.73,;16.52,-15.45,;16.13,-13.97,;14.65,-13.55,;17.24,-12.88,;16.85,-11.39,;18.73,-13.29,;19.11,-14.78,;28.17,-28.52,;26.84,-27.73,;29.51,-27.75,;33.49,-30.1,;33.5,-28.56,;34.82,-30.88,;36.16,-30.12,;36.17,-28.58,;37.51,-27.82,;37.52,-26.28,;38.86,-25.52,;40.19,-26.3,;41.53,-25.55,;40.18,-27.85,;38.84,-28.6,;37.48,-30.9,;37.47,-32.44,;38.83,-30.14,;40.15,-30.92,;41.49,-30.16,;42.82,-30.94,;44.16,-30.18,;45.49,-30.96,;46.83,-30.2,;48.16,-30.98,;46.84,-28.66,;40.14,-32.47,;38.8,-33.23,;41.46,-33.25,;28.07,-37.74,;28.05,-39.28,;26.74,-36.95,;25.4,-37.7,;25.38,-39.24,;24.03,-40,;24.01,-41.53,;22.67,-42.29,;21.34,-41.5,;20,-42.24,;21.37,-39.95,;22.71,-39.21,;24.08,-36.91,;24.1,-35.37,;22.73,-37.66,;21.41,-36.88,;20.06,-37.63,;18.74,-36.84,;17.4,-37.6,;16.07,-36.81,;14.73,-37.56,;13.41,-36.77,;14.71,-39.1,;21.43,-35.33,;20.11,-34.54,;22.78,-34.58,)| Show InChI InChI=1S/C130H182N32O32S2/c1-65(2)49-91(151-117(181)95(149-111(175)85(131)61-163)55-77-57-139-87-23-15-13-21-83(77)87)113(177)145-71(11)107(171)155-97(53-75-33-41-81(167)42-34-75)125(189)161-47-19-27-101(161)121(185)141-59-103(169)143-69(9)109(173)159-105(67(5)6)123(187)157-99(119(183)153-93(51-73-29-37-79(165)38-30-73)115(179)147-89(127(191)192)25-17-45-137-129(133)134)63-195-196-64-100(120(184)154-94(52-74-31-39-80(166)40-32-74)116(180)148-90(128(193)194)26-18-46-138-130(135)136)158-124(188)106(68(7)8)160-110(174)70(10)144-104(170)60-142-122(186)102-28-20-48-162(102)126(190)98(54-76-35-43-82(168)44-36-76)156-108(172)72(12)146-114(178)92(50-66(3)4)152-118(182)96(150-112(176)86(132)62-164)56-78-58-140-88-24-16-14-22-84(78)88/h13-16,21-24,29-44,57-58,65-72,85-86,89-102,105-106,139-140,163-168H,17-20,25-28,45-56,59-64,131-132H2,1-12H3,(H,141,185)(H,142,186)(H,143,169)(H,144,170)(H,145,177)(H,146,178)(H,147,179)(H,148,180)(H,149,175)(H,150,176)(H,151,181)(H,152,182)(H,153,183)(H,154,184)(H,155,171)(H,156,172)(H,157,187)(H,158,188)(H,159,173)(H,160,174)(H,191,192)(H,193,194)(H4,133,134,137)(H4,135,136,138)/t69-,70-,71-,72-,85-,86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,105-,106-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incub... |
ACS Med Chem Lett 4: (2013)
Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50229978
(5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOL...)Show SMILES Nc1n[nH]c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.
Curated by ChEMBL
| Assay Description
Binding affinity to non-phosphorylated full length N-terminal His6-tagged/SUMO-fused ERK2 (1 to 360 residues) (unknown origin) by isothermal titratio... |
ACS Med Chem Lett 8: 726-731 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00127
BindingDB Entry DOI: 10.7270/Q2ZW1PCV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50535187
(CHEMBL4476251)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C55H75N15O14S2/c1-28(2)45-54(84)66-38(21-30-11-15-33(74)16-12-30)49(79)64-37(8-5-18-61-55(58)59)48(78)60-19-17-44(75)63-40(24-71)51(81)65-39(22-31-23-62-36-7-4-3-6-34(31)36)50(80)67-41(25-72)52(82)68-42(46(57)76)26-85-86-27-43(53(83)70-45)69-47(77)35(56)20-29-9-13-32(73)14-10-29/h3-4,6-7,9-16,23,28,35,37-43,45,62,71-74H,5,8,17-22,24-27,56H2,1-2H3,(H2,57,76)(H,60,78)(H,63,75)(H,64,79)(H,65,81)(H,66,84)(H,67,80)(H,68,82)(H,69,77)(H,70,83)(H4,58,59,61)/t35-,37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by... |
ACS Med Chem Lett 7: 841-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00132
BindingDB Entry DOI: 10.7270/Q2TT4VF1 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4 [1-949,A922V]
(Homo sapiens (Human)) | BDBM11985
(4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic a...)Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-11(13(16)17)12(15)7-10/h3-7,15H,1-2H3,(H,16,17) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Sanford-Burnham Medical Research Institute
| Assay Description
Protein A-coasted wells (from Pierce Biotechnology) were used to immobilize Eph receptor Fc fusion proteins (from R&D systems)incubated at 1 ug/ml in... |
Chem Biol Drug Des 78: 667-78 (2011)
Article DOI: 10.1111/j.1747-0285.2011.01199.x
BindingDB Entry DOI: 10.7270/Q2FN14QN |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 6
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA6 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 8
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA8 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428222
(CHEMBL2337011)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O |r,wU:172.179,150.159,113.116,95.106,67.82,44.54,34.35,13.13,4.4,199.207,wD:158.175,145.150,133.146,126.128,117.120,107.112,84.93,56.65,38.41,29.30,18.17,8.8,185.191,(15.67,-7.69,;14.26,-8.27,;14.06,-9.82,;13.03,-7.33,;11.62,-7.91,;10.41,-6.98,;10.62,-5.43,;12.02,-4.85,;9.41,-4.51,;7.98,-5.1,;9.62,-2.96,;8.41,-2.04,;6.98,-2.63,;8.61,-.5,;10.02,.1,;7.39,.45,;7.6,1.97,;9.02,2.56,;6.39,2.9,;4.99,2.26,;4.06,3.66,;5.1,4.98,;6.68,4.4,;8.02,5.15,;8.03,6.69,;9.34,4.36,;10.68,5.13,;12.01,4.34,;11.99,2.8,;13.35,5.11,;13.36,6.65,;14.67,4.32,;16.01,5.07,;16.03,6.61,;17.34,4.3,;18.68,5.05,;20.01,4.26,;19.99,2.72,;21.35,5.03,;21.36,6.57,;22.7,7.32,;22.67,4.24,;24.02,5.01,;24.03,6.55,;25.34,4.22,;25.33,2.68,;23.99,1.93,;23.97,.39,;22.63,-.38,;21.31,.41,;19.97,-.36,;21.32,1.95,;22.66,2.7,;26.68,4.97,;28.01,4.2,;27.99,2.66,;29.35,4.95,;29.36,6.49,;28.04,7.28,;28.05,8.82,;26.73,9.59,;26.74,11.13,;28.08,11.9,;25.41,11.92,;30.68,4.18,;32.02,4.93,;32.03,6.47,;33.34,4.14,;33.33,2.6,;31.99,1.85,;31.97,.31,;33.3,-.48,;33.29,-2.02,;31.95,-2.78,;30.62,-2,;31.94,-4.31,;33.26,-5.12,;33.23,-6.67,;34.55,-7.46,;34.51,-9.01,;35.84,-9.81,;34.68,4.91,;36.01,4.12,;36,2.58,;37.35,4.88,;37.37,6.42,;36.04,7.2,;36.05,8.74,;34.73,9.53,;34.74,11.07,;36.08,11.82,;33.42,11.84,;38.68,4.09,;40.02,4.85,;40.03,6.39,;41.34,4.07,;41.33,2.53,;39.99,1.77,;39.98,.24,;38.64,-.53,;37.31,.26,;35.97,-.51,;37.32,1.8,;38.66,2.56,;42.69,4.82,;44.01,4.05,;44,2.51,;45.35,4.8,;45.37,6.34,;46.71,7.09,;46.68,4.01,;48.02,4.78,;48.03,6.32,;49.35,3.99,;50.69,4.74,;52.01,3.97,;52,2.43,;53.35,4.72,;53.37,6.26,;54.68,3.95,;56.02,4.7,;56.04,6.24,;57.35,3.91,;58.69,4.68,;59.96,3.81,;59.86,2.29,;61.35,4.49,;61.37,6.05,;63.04,6.27,;63.76,4.75,;62.55,3.58,;62.64,2.05,;61.35,1.2,;64.02,1.36,;65.3,2.21,;66.68,1.51,;66.76,-.03,;68.14,-.72,;69.43,.13,;70.8,-.56,;69.33,1.68,;67.95,2.37,;64.11,-.19,;62.82,-1.04,;61.44,-.35,;62.91,-2.57,;64.29,-3.26,;61.63,-3.42,;61.72,-4.96,;63.09,-5.65,;60.43,-5.8,;59.06,-5.12,;58.96,-3.58,;57.59,-2.89,;60.25,-2.73,;60.52,-7.34,;59.24,-8.19,;57.86,-7.5,;59.33,-9.73,;60.71,-10.42,;61.99,-9.57,;62.06,-8.03,;63.54,-7.62,;64.39,-8.91,;65.91,-9.14,;66.47,-10.57,;65.51,-11.77,;63.99,-11.54,;63.43,-10.11,;58.04,-10.57,;58.13,-12.11,;59.51,-12.8,;56.85,-12.96,;56.94,-14.5,;55.47,-12.27,;55.38,-10.73,;49.33,2.45,;50.66,1.68,;47.99,1.7,;17.33,2.76,;18.65,1.97,;15.99,1.99,;11.42,-9.45,;9.97,-10.05,;12.62,-10.38,;12.42,-11.92,;10.98,-12.52,;10.78,-14.03,;11.86,-15.09,;11.19,-16.48,;9.67,-16.26,;8.49,-17.25,;7.04,-16.73,;6.78,-15.21,;7.96,-14.22,;9.4,-14.75,;13.62,-12.85,;15.03,-12.27,;13.42,-14.4,;14.62,-15.32,;16.03,-14.74,;17.27,-15.69,;14.42,-16.87,;15.63,-17.79,;12.98,-17.46,)| Show InChI InChI=1S/C136H201N35O34/c1-70(2)55-95(160-125(195)99(159-117(187)89(138)66-172)60-82-62-146-90-29-18-16-27-87(82)90)121(191)152-78(13)115(185)164-101(59-81-41-47-86(178)48-42-81)133(203)171-54-26-34-105(171)129(199)148-64-108(180)150-75(10)116(186)168-111(73(7)8)132(202)166-102(67-173)127(197)162-97(57-79-37-43-84(176)44-38-79)123(193)157-93(32-23-51-144-135(139)140)119(189)155-92(31-20-22-50-143-107(179)36-15-14-21-49-137)118(188)156-94(33-24-52-145-136(141)142)120(190)161-98(58-80-39-45-85(177)46-40-80)124(194)165-103(68-174)128(198)169-110(72(5)6)131(201)154-74(9)112(182)149-65-109(181)170-53-25-35-106(170)130(200)153-76(11)113(183)151-77(12)114(184)158-96(56-71(3)4)122(192)163-100(126(196)167-104(69-175)134(204)205)61-83-63-147-91-30-19-17-28-88(83)91/h16-19,27-30,37-48,62-63,70-78,89,92-106,110-111,146-147,172-178H,14-15,20-26,31-36,49-61,64-69,137-138H2,1-13H3,(H,143,179)(H,148,199)(H,149,182)(H,150,180)(H,151,183)(H,152,191)(H,153,200)(H,154,201)(H,155,189)(H,156,188)(H,157,193)(H,158,184)(H,159,187)(H,160,195)(H,161,190)(H,162,197)(H,163,192)(H,164,185)(H,165,194)(H,166,202)(H,167,196)(H,168,186)(H,169,198)(H,204,205)(H4,139,140,144)(H4,141,142,145)/t74-,75-,76-,77-,78-,89-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,110-,111-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incub... |
ACS Med Chem Lett 4: (2013)
Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Inhibition of ephrin-A1-Fc binding to EphA2-Fc receptor (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 6
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA7 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA2 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 1
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA1 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 5
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA5 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 3
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA3 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4 [1-949,A922V]
(Homo sapiens (Human)) | BDBM82187
(Salicylic acid derivative, 76D10)Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(\C=C\C(=O)\C=C\c2ccc(o2)-c2ccc(O)c(c2)C(O)=O)o1 Show InChI InChI=1S/C27H18O9/c28-17(3-5-18-7-11-24(35-18)15-1-9-22(29)20(13-15)26(31)32)4-6-19-8-12-25(36-19)16-2-10-23(30)21(14-16)27(33)34/h1-14,29-30H,(H,31,32)(H,33,34)/b5-3+,6-4+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Sanford-Burnham Medical Research Institute
| Assay Description
Protein A-coasted wells (from Pierce Biotechnology) were used to immobilize Eph receptor Fc fusion proteins (from R&D systems)incubated at 1 ug/ml in... |
Chem Biol Drug Des 78: 667-78 (2011)
Article DOI: 10.1111/j.1747-0285.2011.01199.x
BindingDB Entry DOI: 10.7270/Q2FN14QN |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-A1-Fc from EphA4 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-B1-Fc from EphB2 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 1
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-B1-Fc from EphB1 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428234
(CHEMBL2336575)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.24,4.4,62.65,75.78,wD:8.20,29.31,34.35,49.53,57.61,69.72,87.91,(22.06,-4.02,;23.55,-3.62,;23.95,-2.13,;24.64,-4.72,;26.12,-4.31,;27.21,-5.41,;26.81,-6.89,;25.33,-7.29,;27.84,-8.03,;29.35,-7.72,;29.83,-6.25,;28.92,-5,;29.83,-3.75,;31.29,-4.23,;32.62,-3.46,;33.96,-4.23,;33.96,-5.77,;32.62,-6.54,;31.29,-5.77,;27.45,-9.52,;28.54,-10.61,;30.02,-10.21,;28.14,-12.1,;29.23,-13.19,;26.65,-12.5,;25.56,-11.41,;26.52,-2.82,;28.01,-2.43,;25.43,-1.74,;25.83,-.25,;27.32,.15,;24.74,.84,;23.26,.44,;25.14,2.34,;24.05,3.42,;24.45,4.91,;25.94,5.32,;27.03,4.22,;28.51,4.62,;28.92,6.11,;30.4,6.5,;27.82,7.2,;26.34,6.81,;22.57,3.03,;22.17,1.55,;21.48,4.12,;21.72,5.64,;20.35,6.33,;19.26,5.25,;19.95,3.88,;19.26,2.5,;20.03,1.16,;17.72,2.5,;16.95,1.16,;15.41,1.16,;14.64,2.5,;14.64,-.17,;13.1,-.17,;12.33,1.16,;12.33,-1.51,;13.1,-2.84,;10.79,-1.51,;10.02,-2.84,;10.79,-4.17,;12.33,-4.17,;10.02,-5.51,;8.48,-2.84,;7.71,-1.51,;7.71,-4.17,;6.17,-4.17,;5.4,-2.84,;6.17,-1.51,;5.4,-5.51,;6.17,-6.84,;3.86,-5.51,;3.09,-6.84,;3.86,-8.18,;3.09,-9.51,;3.86,-10.84,;3.09,-12.18,;1.55,-12.18,;.78,-13.51,;.78,-10.84,;1.55,-9.51,;1.55,-6.84,;.78,-5.51,;.78,-8.18,;-.78,-8.18,;-1.55,-6.84,;-3.09,-6.84,;-3.86,-5.51,;-5.4,-5.51,;-6.17,-4.17,;-5.4,-2.84,;-7.71,-4.17,;-1.55,-9.51,;-.78,-10.84,;-3.09,-9.51,)| Show InChI InChI=1S/C65H92N16O17/c1-33(2)25-46(76-59(92)48(75-56(89)43(66)31-82)28-39-29-70-44-12-8-7-11-42(39)44)57(90)73-36(6)54(87)78-49(27-38-17-21-41(85)22-18-38)63(96)81-24-10-14-51(81)61(94)71-30-52(86)72-35(5)55(88)80-53(34(3)4)62(95)79-50(32-83)60(93)77-47(26-37-15-19-40(84)20-16-37)58(91)74-45(64(97)98)13-9-23-69-65(67)68/h7-8,11-12,15-22,29,33-36,43,45-51,53,70,82-85H,9-10,13-14,23-28,30-32,66H2,1-6H3,(H,71,94)(H,72,86)(H,73,90)(H,74,91)(H,75,89)(H,76,92)(H,77,93)(H,78,87)(H,79,95)(H,80,88)(H,97,98)(H4,67,68,69)/t35-,36-,43-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incub... |
ACS Med Chem Lett 4: (2013)
Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-B1-Fc from EphB3 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-B1-Fc from EphB4 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Antagonist activity at EphA2 receptor in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated cell retraction pretreated for 15 mins by ... |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 6
(Homo sapiens (Human)) | BDBM50428059
(CHEMBL2322989)Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Displacement of ephrin-B1-Fc from EphB6 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA |
J Med Chem 56: 2936-47 (2013)
Article DOI: 10.1021/jm301890k
BindingDB Entry DOI: 10.7270/Q2JW8G7H |
More data for this
Ligand-Target Pair | |
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