Found 258 hits with Last Name = 'zong' and Initial = 'x' 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 |
|---|
Endothelin-1 receptor
(RAT) | BDBM50064000
(CHEMBL3400988)Show SMILES CC(=O)c1ccc(OCc2ccc3OCOc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24O7/c1-17(27)21-9-8-20(30-15-18-7-10-23-25(13-18)32-16-31-23)14-24(21)33-22(11-12-26(28)29)19-5-3-2-4-6-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of PD156707 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063998
(CHEMBL3400989)Show SMILES CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H22N2O5S/c1-16(28)20-9-8-19(31-15-17-7-10-21-22(13-17)27-33-26-21)14-24(20)32-23(11-12-25(29)30)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50061101
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063997
(CHEMBL3400996)Show SMILES OC(=O)CCC(Oc1cc(OCc2ccc3nonc3c2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C24H19N3O5/c25-14-18-7-8-19(30-15-16-6-9-20-21(12-16)27-32-26-20)13-23(18)31-22(10-11-24(28)29)17-4-2-1-3-5-17/h1-9,12-13,22H,10-11,15H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063999
(CHEMBL3400984)Show SMILES CC(=O)c1ccc(OCc2ccccc2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H24O5/c1-18(26)22-13-12-21(29-17-19-8-4-2-5-9-19)16-24(22)30-23(14-15-25(27)28)20-10-6-3-7-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063996
(CHEMBL3400998)Show SMILES OC(=O)c1ccc(OCc2ccccc2)cc1OC(CCC#N)c1ccccc1 Show InChI InChI=1S/C24H21NO4/c25-15-7-12-22(19-10-5-2-6-11-19)29-23-16-20(13-14-21(23)24(26)27)28-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16,22H,7,12,17H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Anoctamin-1
(Homo sapiens (Human)) | BDBM50594075
(CHEMBL5186789)Show SMILES OC(=O)c1c(NC(=O)c2cc(F)ccc2F)scc1-c1ccc(Cl)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6 |
More data for this
Ligand-Target Pair | |
Anoctamin-1
(Homo sapiens (Human)) | BDBM11242
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) | PDB
Reactome pathway
KEGG
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| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50029352
(CHEMBL336033 | [(5S,8S,11R,14S,16aR)-8-(1H-Indol-3...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Anoctamin-1
(Homo sapiens (Human)) | BDBM50594073
(CHEMBL5206041)Show SMILES OC(=O)c1c(NC(=O)c2cc(Cl)ccc2Br)scc1-c1ccc(Cl)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6 |
More data for this
Ligand-Target Pair | |
Anoctamin-1
(Homo sapiens (Human)) | BDBM50239459
(CHEMBL4074929)Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12 Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50082211
(CHEMBL3421742)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H20N6O4/c24-19-3-1-2-4-20(19)26-23(30)17-7-5-15(6-8-17)13-25-14-21-27-22(28-33-21)16-9-11-18(12-10-16)29(31)32/h1-12,25H,13-14,24H2,(H,26,30) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029422
(CHEMBL3343311)Show SMILES CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1 Show InChI InChI=1S/C31H36N6O2/c1-23-8-5-6-17-37(23)18-7-19-39-27-15-16-28-29(20-27)33-22-34-30(28)35-25-11-13-26(14-12-25)36-31(38)32-21-24-9-3-2-4-10-24/h2-4,9-16,20,22-23H,5-8,17-19,21H2,1H3,(H2,32,36,38)(H,33,34,35) | 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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50082261
(CHEMBL3421746)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C23H20ClN5O2/c24-18-6-2-1-5-17(18)22-28-21(31-29-22)14-26-13-15-9-11-16(12-10-15)23(30)27-20-8-4-3-7-19(20)25/h1-12,26H,13-14,25H2,(H,27,30) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094049
(CHEMBL3585965)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(137(227)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164)191-129(219)94(50-56-116(205)206)178-121(211)87(35-18-22-59-151)173-122(212)89(38-25-62-166-147(159)160)174-125(215)91(46-52-111(155)200)177-127(217)93(48-54-113(157)202)181-141(231)119(82(6)7)192-130(220)90(39-26-63-167-148(161)162)175-126(216)92(47-53-112(156)201)179-134(224)102(72-85-74-165-79-169-85)188-128(218)95(51-57-117(207)208)180-139(229)108-42-29-66-194(108)144(234)105(77-199)190-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-136(226)104(76-198)189-135(225)103(75-197)171-115(204)73-154/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,227)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,225)(H,190,222)(H,191,219)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029416
(CHEMBL3343310)Show SMILES O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1 Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-23-8-3-1-4-9-23)35-25-12-10-24(11-13-25)34-29-27-15-14-26(20-28(27)32-22-33-29)38-19-7-18-36-16-5-2-6-17-36/h1,3-4,8-15,20,22H,2,5-7,16-19,21H2,(H2,31,35,37)(H,32,33,34) | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094054
(CHEMBL3585968)Show InChI InChI=1S/C152H255N47O42/c1-9-10-11-12-13-14-15-19-48-121(212)241-81-109(194-138(228)106(78-200)174-118(207)76-157)140(230)190-104(74-87-35-17-16-18-36-87)136(226)189-103(73-84(4)5)135(225)193-108(80-202)147(237)197-69-32-45-111(197)142(232)183-98(54-60-120(210)211)131(221)191-105(75-88-77-168-82-172-88)137(227)182-95(50-56-115(159)204)129(219)178-93(42-29-66-170-151(164)165)133(223)195-122(85(6)7)144(234)184-96(51-57-116(160)205)130(220)180-94(49-55-114(158)203)128(218)177-92(41-28-65-169-150(162)163)125(215)176-90(38-21-25-62-154)124(214)181-97(53-59-119(208)209)132(222)192-107(79-201)139(229)179-91(39-22-26-63-155)126(216)185-99(40-23-27-64-156)145(235)199-71-34-47-113(199)148(238)198-70-33-44-110(198)141(231)173-86(8)123(213)175-89(37-20-24-61-153)127(217)188-102(72-83(2)3)134(224)186-100(52-58-117(161)206)146(236)196-68-31-46-112(196)143(233)187-101(149(239)240)43-30-67-171-152(166)167/h16-18,35-36,77,82-86,89-113,122,200-202H,9-15,19-34,37-76,78-81,153-157H2,1-8H3,(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H,168,172)(H,173,231)(H,174,207)(H,175,213)(H,176,215)(H,177,218)(H,178,219)(H,179,229)(H,180,220)(H,181,214)(H,182,227)(H,183,232)(H,184,234)(H,185,216)(H,186,224)(H,187,233)(H,188,217)(H,189,226)(H,190,230)(H,191,221)(H,192,222)(H,193,225)(H,194,228)(H,195,223)(H,208,209)(H,210,211)(H,239,240)(H4,162,163,169)(H4,164,165,170)(H4,166,167,171)/t86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-/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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029449
(CHEMBL3343321)Show SMILES CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:15,40,t:12,17| Show InChI InChI=1S/C30H42N6O2/c1-22-8-5-6-17-36(22)18-7-19-38-26-15-16-27-28(20-26)31-21-32-29(27)33-24-11-13-25(14-12-24)35-30(37)34-23-9-3-2-4-10-23/h11-16,20-23,27-28H,2-10,17-19H2,1H3,(H,31,32,33)(H2,34,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50082210
(CHEMBL3421741)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50061101
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029447
(CHEMBL3343320)Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1 |c:18,34,t:16,21| Show InChI InChI=1S/C29H40N6O2/c36-29(33-22-8-3-1-4-9-22)34-24-12-10-23(11-13-24)32-28-26-15-14-25(20-27(26)30-21-31-28)37-19-7-18-35-16-5-2-6-17-35/h10-15,20-22,26-27H,1-9,16-19H2,(H,30,31,32)(H2,33,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50082213
(CHEMBL3421743)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H20FN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029459
(CHEMBL3343420)Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1 |c:6,20,22,t:2| Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029454
(CHEMBL3343418)Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:18,33,t:16,21| Show InChI InChI=1S/C28H38N6O2/c35-28(32-21-7-2-1-3-8-21)33-23-11-9-22(10-12-23)31-27-25-14-13-24(19-26(25)29-20-30-27)36-18-6-17-34-15-4-5-16-34/h9-14,19-21,25-26H,1-8,15-18H2,(H,29,30,31)(H2,32,33,35) | 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 | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094053
(CHEMBL3585967)Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,118-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029455
(CHEMBL3343419)Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:12,37,t:9,14| Show InChI InChI=1S/C28H40N6O2/c1-3-34(4-2)17-8-18-36-24-15-16-25-26(19-24)29-20-30-27(25)31-22-11-13-23(14-12-22)33-28(35)32-21-9-6-5-7-10-21/h11-16,19-21,25-26H,3-10,17-18H2,1-2H3,(H,29,30,31)(H2,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029429
(CHEMBL3343313)Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:12,38,t:9,14| Show InChI InChI=1S/C29H36N6O2/c1-3-35(4-2)17-8-18-37-25-15-16-26-27(19-25)31-21-32-28(26)33-23-11-13-24(14-12-23)34-29(36)30-20-22-9-6-5-7-10-22/h5-7,9-16,19,21,26-27H,3-4,8,17-18,20H2,1-2H3,(H2,30,34,36)(H,31,32,33) | 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 | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029459
(CHEMBL3343420)Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1 |c:6,20,22,t:2| Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029459
(CHEMBL3343420)Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1 |c:6,20,22,t:2| Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094061
(CHEMBL3585970)Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115?,116+,117?,118?,127-/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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029425
(CHEMBL3343314)Show SMILES O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:19,34,t:17,22| Show InChI InChI=1S/C29H34N6O2/c36-29(30-20-22-7-2-1-3-8-22)34-24-11-9-23(10-12-24)33-28-26-14-13-25(19-27(26)31-21-32-28)37-18-6-17-35-15-4-5-16-35/h1-3,7-14,19,21,26-27H,4-6,15-18,20H2,(H2,30,34,36)(H,31,32,33) | 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 | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50082211
(CHEMBL3421742)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H20N6O4/c24-19-3-1-2-4-20(19)26-23(30)17-7-5-15(6-8-17)13-25-14-21-27-22(28-33-21)16-9-11-18(12-10-16)29(31)32/h1-12,25H,13-14,24H2,(H,26,30) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029459
(CHEMBL3343420)Show SMILES COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1 |c:6,20,22,t:2| Show InChI InChI=1S/C29H33N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20,24-25H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029453
(CHEMBL3343417)Show SMILES CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14| Show InChI InChI=1S/C30H42N6O2/c1-22-14-17-36(18-15-22)16-5-19-38-26-12-13-27-28(20-26)31-21-32-29(27)33-24-8-10-25(11-9-24)35-30(37)34-23-6-3-2-4-7-23/h8-13,20-23,27-28H,2-7,14-19H2,1H3,(H,31,32,33)(H2,34,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029422
(CHEMBL3343311)Show SMILES CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1 Show InChI InChI=1S/C31H36N6O2/c1-23-8-5-6-17-37(23)18-7-19-39-27-15-16-28-29(20-27)33-22-34-30(28)35-25-11-13-26(14-12-25)36-31(38)32-21-24-9-3-2-4-10-24/h2-4,9-16,20,22-23H,5-8,17-19,21H2,1H3,(H2,32,36,38)(H,33,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029455
(CHEMBL3343419)Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:12,37,t:9,14| Show InChI InChI=1S/C28H40N6O2/c1-3-34(4-2)17-8-18-36-24-15-16-25-26(19-24)29-20-30-27(25)31-22-11-13-23(14-12-22)33-28(35)32-21-9-6-5-7-10-21/h11-16,19-21,25-26H,3-10,17-18H2,1-2H3,(H,29,30,31)(H2,32,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50082208
(CHEMBL3421739)Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30) | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029454
(CHEMBL3343418)Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:18,33,t:16,21| Show InChI InChI=1S/C28H38N6O2/c35-28(32-21-7-2-1-3-8-21)33-23-11-9-22(10-12-23)31-27-25-14-13-24(19-26(25)29-20-30-27)36-18-6-17-34-15-4-5-16-34/h9-14,19-21,25-26H,1-8,15-18H2,(H,29,30,31)(H2,32,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50063997
(CHEMBL3400996)Show SMILES OC(=O)CCC(Oc1cc(OCc2ccc3nonc3c2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C24H19N3O5/c25-14-18-7-8-19(30-15-16-6-9-20-21(12-16)27-32-26-20)13-23(18)31-22(10-11-24(28)29)17-4-2-1-3-5-17/h1-9,12-13,22H,10-11,15H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094047
(CHEMBL3585964)Show InChI InChI=1S/C149H249N47O42/c1-10-30-84(31-11-2)146(237)238-77-106(191-134(224)103(74-197)171-115(204)72-154)136(226)187-101(70-83-32-13-12-14-33-83)132(222)186-100(69-80(5)6)131(221)190-105(76-199)143(233)194-65-27-42-108(194)138(228)180-95(50-56-117(207)208)127(217)188-102(71-85-73-165-78-169-85)133(223)179-92(46-52-112(156)201)125(215)175-90(39-24-62-167-148(161)162)129(219)192-118(81(7)8)140(230)181-93(47-53-113(157)202)126(216)177-91(45-51-111(155)200)124(214)174-89(38-23-61-166-147(159)160)121(211)173-87(35-16-20-58-151)120(210)178-94(49-55-116(205)206)128(218)189-104(75-198)135(225)176-88(36-17-21-59-152)122(212)182-96(37-18-22-60-153)141(231)196-67-29-44-110(196)144(234)195-66-28-41-107(195)137(227)170-82(9)119(209)172-86(34-15-19-57-150)123(213)185-99(68-79(3)4)130(220)183-97(48-54-114(158)203)142(232)193-64-26-43-109(193)139(229)184-98(145(235)236)40-25-63-168-149(163)164/h12-14,32-33,73,78-82,84,86-110,118,197-199H,10-11,15-31,34-72,74-77,150-154H2,1-9H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,227)(H,171,204)(H,172,209)(H,173,211)(H,174,214)(H,175,215)(H,176,225)(H,177,216)(H,178,210)(H,179,223)(H,180,228)(H,181,230)(H,182,212)(H,183,220)(H,184,229)(H,185,213)(H,186,222)(H,187,226)(H,188,217)(H,189,218)(H,190,221)(H,191,224)(H,192,219)(H,205,206)(H,207,208)(H,235,236)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,118-/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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029444
(CHEMBL3343318)Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1 |c:18,34,t:16,21| Show InChI InChI=1S/C28H38N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21,25-26H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35) | 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 | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029416
(CHEMBL3343310)Show SMILES O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1 Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-23-8-3-1-4-9-23)35-25-12-10-24(11-13-25)34-29-27-15-14-26(20-28(27)32-22-33-29)38-19-7-18-36-16-5-2-6-17-36/h1,3-4,8-15,20,22H,2,5-7,16-19,21H2,(H2,31,35,37)(H,32,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029367
(CHEMBL3343309)Show SMILES CN1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1 Show InChI InChI=1S/C30H35N7O2/c1-36-15-17-37(18-16-36)14-5-19-39-26-12-13-27-28(20-26)32-22-33-29(27)34-24-8-10-25(11-9-24)35-30(38)31-21-23-6-3-2-4-7-23/h2-4,6-13,20,22H,5,14-19,21H2,1H3,(H2,31,35,38)(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029429
(CHEMBL3343313)Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:12,38,t:9,14| Show InChI InChI=1S/C29H36N6O2/c1-3-35(4-2)17-8-18-37-25-15-16-26-27(19-25)31-21-32-28(26)33-23-11-13-24(14-12-23)34-29(36)30-20-22-9-6-5-7-10-22/h5-7,9-16,19,21,26-27H,3-4,8,17-18,20H2,1-2H3,(H2,30,34,36)(H,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50029449
(CHEMBL3343321)Show SMILES CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:15,40,t:12,17| Show InChI InChI=1S/C30H42N6O2/c1-22-8-5-6-17-36(22)18-7-19-38-26-15-16-27-28(20-26)31-21-32-29(27)33-24-11-13-25(14-12-24)35-30(37)34-23-9-3-2-4-10-23/h11-16,20-23,27-28H,2-10,17-19H2,1H3,(H,31,32,33)(H2,34,35,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50063998
(CHEMBL3400989)Show SMILES CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H22N2O5S/c1-16(28)20-9-8-19(31-15-17-7-10-21-22(13-17)27-33-26-21)14-24(20)32-23(11-12-25(29)30)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50082262
(CHEMBL3421747)Show InChI InChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a... |
Eur J Med Chem 96: 1-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50029446
(CHEMBL3343319)Show SMILES CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14| Show InChI InChI=1S/C29H41N7O2/c1-35-15-17-36(18-16-35)14-5-19-38-25-12-13-26-27(20-25)30-21-31-28(26)32-23-8-10-24(11-9-23)34-29(37)33-22-6-3-2-4-7-22/h8-13,20-22,26-27H,2-7,14-19H2,1H3,(H,30,31,32)(H2,33,34,37) | 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 | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay |
Bioorg Med Chem 22: 5813-23 (2014)
Article DOI: 10.1016/j.bmc.2014.09.029
BindingDB Entry DOI: 10.7270/Q279468G |
More data for this
Ligand-Target Pair | |
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