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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'pasquale' and Initial = 'eb'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50254742
PNG
(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
Show InChI InChI=1/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-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50254739
PNG
(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
Show InChI InChI=1/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-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

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)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428223
PNG
(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
Show InChI InChI=1/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-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/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: 344-8 (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))
BDBM50428221
PNG
(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
Show InChI InChI=1/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-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/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: 344-8 (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))
BDBM50428224
PNG
(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
Show InChI InChI=1/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-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/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: 344-8 (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
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 700n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50229978
PNG
(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)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428225
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/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: 344-8 (2013)


Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0
More data for this
Ligand-Target Pair
EPHA4


(Homo sapiens (Human))
BDBM11985
PNG
(4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic a...)
Show SMILES Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1
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)
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n/an/a 1.30E+3n/an/an/an/a7.5n/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 receptor


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/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 receptor


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50428222
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/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: 344-8 (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
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.04E+3n/an/an/an/an/an/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 receptor


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.10E+3n/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.20E+3n/an/an/an/an/an/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 (EPHA1)


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.30E+3n/an/an/an/an/an/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 receptor


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.40E+3n/an/an/an/an/an/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 (EPHA3)


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.50E+3n/an/an/an/an/an/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
EPHA4


(Homo sapiens (Human))
BDBM82187
PNG
(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+
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n/an/a 2.60E+3n/an/an/an/a7.5n/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 receptor


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 2.70E+3n/an/an/an/an/an/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
EPHB1


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 3.80E+3n/an/an/an/an/an/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-B receptor 2


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 3.80E+3n/an/an/an/an/an/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-A receptor 2


(Homo sapiens (Human))
BDBM50428234
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 4.10E+3n/an/an/an/an/an/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: 344-8 (2013)


Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 4.40E+3n/an/an/an/an/an/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-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 4.40E+3n/an/an/an/an/an/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-A receptor 2


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 5.10E+3n/an/an/an/an/an/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 receptor


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 5.80E+3n/an/an/an/an/an/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
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428233
PNG
(CHEMBL2336576)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)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
Show InChI InChI=1/C65H92N16O16/c1-33(2)26-46(76-59(91)48(75-54(86)35(5)66)29-40-30-70-44-13-9-8-12-43(40)44)57(89)73-37(7)55(87)78-49(28-39-18-22-42(84)23-19-39)63(95)81-25-11-15-51(81)61(93)71-31-52(85)72-36(6)56(88)80-53(34(3)4)62(94)79-50(32-82)60(92)77-47(27-38-16-20-41(83)21-17-38)58(90)74-45(64(96)97)14-10-24-69-65(67)68/h8-9,12-13,16-23,30,33-37,45-51,53,70,82-84H,10-11,14-15,24-29,31-32,66H2,1-7H3,(H,71,93)(H,72,85)(H,73,89)(H,74,90)(H,75,86)(H,76,91)(H,77,92)(H,78,87)(H,79,94)(H,80,88)(H,96,97)(H4,67,68,69)/t35-,36-,37-,45-,46-,47-,48-,49-,50-,51-,53-/s2
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n/an/a 6.30E+3n/an/an/an/an/an/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: 344-8 (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))
BDBM50428061
PNG
(CHEMBL2323554)
Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)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
Show InChI InChI=1/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/s2
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n/an/a 6.61E+3n/an/an/an/an/an/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-A receptor 2


(Homo sapiens (Human))
BDBM50027867
PNG
(CHEMBL2323555)
Show SMILES C[C@H](CCC(=O)N[C@H](Cc1ccccc1)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
Show InChI InChI=1/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29-,32+,33-/s2
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n/an/a 7.59E+3n/an/an/an/an/an/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
EPHA4


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/a7.5n/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 2


(Homo sapiens (Human))
BDBM50428059
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/a 1.20E+4n/an/an/an/an/an/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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50254770
PNG
(CHEMBL4098700)
Show SMILES Nc1nn(CC(O)=O)c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15N7O2/c21-19-13-10-14(22-23-20(13)27(25-19)11-16(28)29)17-15-8-4-5-9-26(15)24-18(17)12-6-2-1-3-7-12/h1-10H,11H2,(H2,21,25)(H,28,29)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

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)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428229
PNG
(CHEMBL2336583)
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](CO)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
Show InChI InChI=1/C65H92N16O18/c1-33(2)24-45(76-58(92)47(75-55(89)42(66)30-82)27-38-28-70-43-11-7-6-10-41(38)43)56(90)72-35(5)54(88)78-48(26-37-16-20-40(86)21-17-37)63(97)81-23-9-13-51(81)61(95)71-29-52(87)73-49(31-83)60(94)80-53(34(3)4)62(96)79-50(32-84)59(93)77-46(25-36-14-18-39(85)19-15-36)57(91)74-44(64(98)99)12-8-22-69-65(67)68/h6-7,10-11,14-21,28,33-35,42,44-51,53,70,82-86H,8-9,12-13,22-27,29-32,66H2,1-5H3,(H,71,95)(H,72,90)(H,73,87)(H,74,91)(H,75,89)(H,76,92)(H,77,93)(H,78,88)(H,79,96)(H,80,94)(H,98,99)(H4,67,68,69)/t35-,42-,44-,45-,46-,47-,48-,49-,50-,51-,53-/s2
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n/an/a 1.30E+4n/an/an/an/an/an/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: 344-8 (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))
BDBM50428228
PNG
(CHEMBL2336584)
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](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C65H92N16O16/c1-33(2)26-47(78-60(92)49(77-57(89)44(66)32-82)29-40-30-70-45-13-9-8-12-43(40)45)58(90)73-36(6)55(87)79-50(28-39-18-22-42(84)23-19-39)63(95)81-25-11-15-51(81)61(93)71-31-52(85)72-35(5)56(88)80-53(34(3)4)62(94)74-37(7)54(86)76-48(27-38-16-20-41(83)21-17-38)59(91)75-46(64(96)97)14-10-24-69-65(67)68/h8-9,12-13,16-23,30,33-37,44,46-51,53,70,82-84H,10-11,14-15,24-29,31-32,66H2,1-7H3,(H,71,93)(H,72,85)(H,73,90)(H,74,94)(H,75,91)(H,76,86)(H,77,89)(H,78,92)(H,79,87)(H,80,88)(H,96,97)(H4,67,68,69)/t35-,36-,37-,44-,46-,47-,48-,49-,50-,51-,53-/s2
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n/an/a 1.40E+4n/an/an/an/an/an/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: 344-8 (2013)


Article DOI: 10.1021/ml3004523
BindingDB Entry DOI: 10.7270/Q2GX4CW0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Mus musculus)
BDBM50242406
PNG
(CHEMBL448652 | SNEWIQPRLPQH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1/C67H101N21O19/c1-5-34(4)54(86-60(100)44(26-35-29-76-39-12-7-6-11-37(35)39)83-57(97)42(18-21-53(93)94)78-59(99)45(28-52(71)92)82-55(95)38(68)31-89)63(103)81-43(17-20-51(70)91)64(104)87-23-9-14-48(87)61(101)79-40(13-8-22-75-67(72)73)56(96)84-46(25-33(2)3)65(105)88-24-10-15-49(88)62(102)80-41(16-19-50(69)90)58(98)85-47(66(106)107)27-36-30-74-32-77-36/h6-7,11-12,29-30,32-34,38,40-49,54,76,89H,5,8-10,13-28,31,68H2,1-4H3,(H2,69,90)(H2,70,91)(H2,71,92)(H,74,77)(H,78,99)(H,79,101)(H,80,102)(H,81,103)(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,100)(H,93,94)(H,106,107)(H4,72,73,75)/t34-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-/s2
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at mouse EphB2 receptor by ELISA


J Biol Chem 282: 36505-13 (2007)


Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50428227
PNG
(CHEMBL2336585)
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](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C59H88N16O16/c1-29(2)22-41(71-53(85)42(70-51(83)38(60)27-76)24-35-25-64-39-13-9-8-12-37(35)39)52(84)67-33(7)49(81)72-43(23-34-16-18-36(78)19-17-34)57(89)75-21-11-15-45(75)55(87)65-26-46(79)66-31(5)50(82)74-47(30(3)4)56(88)73-44(28-77)54(86)68-32(6)48(80)69-40(58(90)91)14-10-20-63-59(61)62/h8-9,12-13,16-19,25,29-33,38,40-45,47,64,76-78H,10-11,14-15,20-24,26-28,60H2,1-7H3,(H,65,87)(H,66,79)(H,67,84)(H,68,86)(H,69,80)(H,70,83)(H,71,85)(H,72,81)(H,73,88)(H,74,82)(H,90,91)(H4,61,62,63)/t31-,32-,33-,38-,40-,41-,42-,43-,44-,45-,47-/s2
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n/an/a 1.50E+4n/an/an/an/an/an/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: 344-8 (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))
BDBM50027858
PNG
(CHEMBL2322995)
Show SMILES CC(C)[C@@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H49NO4/c1-17(2)26(27(33)34)30-25(32)11-6-18(3)22-9-10-23-21-8-7-19-16-20(31)12-14-28(19,4)24(21)13-15-29(22,23)5/h17-24,26,31H,6-16H2,1-5H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,26-,28+,29-/s2
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n/an/a 1.74E+4n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50428061
PNG
(CHEMBL2323554)
Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)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
Show InChI InChI=1/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/s2
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Antagonist activity at EphA2 in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated EphA2 phosphorylation pretreated for 20 mins by san...


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))
BDBM50428065
PNG
(CHEMBL2322992)
Show SMILES C[C@H](CCC(=O)N[C@@H](C)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
Show InChI InChI=1/C27H45NO4/c1-16(5-10-24(30)28-17(2)25(31)32)21-8-9-22-20-7-6-18-15-19(29)11-13-26(18,3)23(20)12-14-27(21,22)4/h16-23,29H,5-15H2,1-4H3,(H,28,30)(H,31,32)/t16-,17+,18-,19-,20+,21-,22+,23+,26+,27-/s2
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n/an/a 2.00E+4n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50027862
PNG
(CHEMBL2322990)
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
Show InChI InChI=1/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-/s2
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n/an/a 2.04E+4n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50428064
PNG
(CHEMBL2322994)
Show SMILES CC(C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H49NO4/c1-17(2)26(27(33)34)30-25(32)11-6-18(3)22-9-10-23-21-8-7-19-16-20(31)12-14-28(19,4)24(21)13-15-29(22,23)5/h17-24,26,31H,6-16H2,1-5H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,26+,28+,29-/s2
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n/an/a 2.40E+4n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50428232
PNG
(CHEMBL2336578)
Show SMILES CC(C)[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](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)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
Show InChI InChI=1/C62H86N16O17/c1-31(2)50(59(92)76-47(30-80)57(90)74-44(24-35-14-18-38(81)19-15-35)56(89)72-43(61(94)95)12-8-22-66-62(64)65)77-53(86)32(3)69-49(83)28-68-58(91)48-13-9-23-78(48)60(93)46(25-36-16-20-39(82)21-17-36)75-52(85)34(5)70-51(84)33(4)71-55(88)45(73-54(87)41(63)29-79)26-37-27-67-42-11-7-6-10-40(37)42/h6-7,10-11,14-21,27,31-34,41,43-48,50,67,79-82H,8-9,12-13,22-26,28-30,63H2,1-5H3,(H,68,91)(H,69,83)(H,70,84)(H,71,88)(H,72,89)(H,73,87)(H,74,90)(H,75,85)(H,76,92)(H,77,86)(H,94,95)(H4,64,65,66)/t32-,33-,34-,41-,43-,44-,45-,46-,47-,48-,50-/s2
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n/an/a 2.40E+4n/an/an/an/an/an/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: 344-8 (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))
BDBM50428062
PNG
(CHEMBL2323552)
Show SMILES CSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H49NO4S/c1-18(5-10-26(32)30-25(27(33)34)13-16-35-4)22-8-9-23-21-7-6-19-17-20(31)11-14-28(19,2)24(21)12-15-29(22,23)3/h18-25,31H,5-17H2,1-4H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,25+,28+,29-/s2
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PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Antagonist activity at EphA2 in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated EphA2 phosphorylation pretreated for 20 mins by san...


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))
BDBM50027856
PNG
(CHEMBL2323553)
Show SMILES CSCC[C@@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H49NO4S/c1-18(5-10-26(32)30-25(27(33)34)13-16-35-4)22-8-9-23-21-7-6-19-17-20(31)11-14-28(19,2)24(21)12-15-29(22,23)3/h18-25,31H,5-17H2,1-4H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,25-,28+,29-/s2
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PubMed
n/an/a 2.75E+4n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50428062
PNG
(CHEMBL2323552)
Show SMILES CSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H49NO4S/c1-18(5-10-26(32)30-25(27(33)34)13-16-35-4)22-8-9-23-21-7-6-19-17-20(31)11-14-28(19,2)24(21)12-15-29(22,23)3/h18-25,31H,5-17H2,1-4H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,25+,28+,29-/s2
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n/an/a 2.75E+4n/an/an/an/an/an/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-A receptor 2


(Homo sapiens (Human))
BDBM50428226
PNG
(CHEMBL2336586)
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](C)C(O)=O
Show InChI InChI=1/C62H85N13O17/c1-31(2)23-44(70-57(86)46(69-54(83)42(63)29-76)26-38-27-64-43-12-9-8-11-41(38)43)55(84)67-34(6)52(81)72-47(25-37-16-20-40(79)21-17-37)61(90)75-22-10-13-49(75)59(88)65-28-50(80)66-33(5)53(82)74-51(32(3)4)60(89)73-48(30-77)58(87)71-45(56(85)68-35(7)62(91)92)24-36-14-18-39(78)19-15-36/h8-9,11-12,14-21,27,31-35,42,44-49,51,64,76-79H,10,13,22-26,28-30,63H2,1-7H3,(H,65,88)(H,66,80)(H,67,84)(H,68,85)(H,69,83)(H,70,86)(H,71,87)(H,72,81)(H,73,89)(H,74,82)(H,91,92)/t33-,34-,35-,42-,44-,45-,46-,47-,48-,49-,51-/s2
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n/an/a 2.90E+4n/an/an/an/an/an/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: 344-8 (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))
BDBM50027860
PNG
(CHEMBL2322993)
Show SMILES C[C@H](CCC(=O)N[C@H](C)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
Show InChI InChI=1/C27H45NO4/c1-16(5-10-24(30)28-17(2)25(31)32)21-8-9-22-20-7-6-18-15-19(29)11-13-26(18,3)23(20)12-14-27(21,22)4/h16-23,29H,5-15H2,1-4H3,(H,28,30)(H,31,32)/t16-,17-,18-,19-,20+,21-,22+,23+,26+,27-/s2
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n/an/a 3.09E+4n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50428063
PNG
(CHEMBL2322996)
Show SMILES C[C@H](CCC(=O)N[C@@H](CO)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
Show InChI InChI=1/C27H45NO5/c1-16(4-9-24(31)28-23(15-29)25(32)33)20-7-8-21-19-6-5-17-14-18(30)10-12-26(17,2)22(19)11-13-27(20,21)3/h16-23,29-30H,4-15H2,1-3H3,(H,28,31)(H,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,26+,27-/s2
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Article
PubMed
n/an/a 3.31E+4n/an/an/an/an/an/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-A receptor 2


(Homo sapiens (Human))
BDBM50375588
PNG
(CHEMBL258818 | LCAGLY)
Show SMILES C[C@H](CCC(=O)NCC(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
Show InChI InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
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PubMed
n/an/a 4.90E+4n/an/an/an/an/an/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
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