Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50015607 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 |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50119570
(CHEMBL3617731)Show SMILES SCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C19H21N7OS/c27-18(7-9-28)21-13-2-1-3-14(10-13)22-19-20-8-6-16(24-19)23-17-11-15(25-26-17)12-4-5-12/h1-3,6,8,10-12,28H,4-5,7,9H2,(H,21,27)(H3,20,22,23,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50119569
(CHEMBL3617733)Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCSCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C33H39N9O2S/c1-41-16-17-42(28(22-41)24-6-3-2-4-7-24)32(44)14-19-45-18-13-31(43)35-25-8-5-9-26(20-25)36-33-34-15-12-29(38-33)37-30-21-27(39-40-30)23-10-11-23/h2-9,12,15,20-21,23,28H,10-11,13-14,16-19,22H2,1H3,(H,35,43)(H3,34,36,37,38,39,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587785
(CHEMBL5178368) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315480
(US10172858, Table 1.4)Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-9-10(5-8)23-15(17)20-9/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50587770
(CHEMBL5188493)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@H]1CSSC[C@H](NC(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C)C(=O)NCC(N)=O |r,THB:16:32:6:2.3.4,23:31:6:2.3.4,10:9:6:2.3.4,29:30:6:2.3.4| | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | KEGG
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50254739
(CHEMBL4079223)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C133H217N45O30/c1-14-74(9)105(127(204)162-92(64-71(3)4)120(197)151-76(11)111(188)153-86(48-51-98(137)182)116(193)155-83(42-32-57-147-131(140)141)114(191)156-85(44-34-59-149-133(144)145)119(196)166-104(73(7)8)125(202)157-84(43-33-58-148-132(142)143)115(192)160-90(130(207)208)41-22-27-55-135)167-123(200)95(70-180)164-122(199)94(69-179)163-118(195)88(50-53-102(186)187)158-126(203)106(75(10)15-2)168-124(201)97-46-35-61-176(97)129(206)89(40-21-26-54-134)159-121(198)93(65-72(5)6)161-117(194)87(49-52-99(138)183)154-112(189)77(12)152-128(205)107(78(13)181)165-101(185)67-150-113(190)82(136)39-24-30-60-175-68-80(169-174-175)38-23-28-56-146-100(184)47-20-17-29-63-178-110-81(109(139)173-178)66-91(170-171-110)103-96-45-25-31-62-177(96)172-108(103)79-36-18-16-19-37-79/h16,18-19,25,31,36-37,45,62,66,68,71-78,82-90,92-95,97,104-107,179-181H,14-15,17,20-24,26-30,32-35,38-44,46-61,63-65,67,69-70,134-136H2,1-13H3,(H2,137,182)(H2,138,183)(H2,139,173)(H,146,184)(H,150,190)(H,151,197)(H,152,205)(H,153,188)(H,154,189)(H,155,193)(H,156,191)(H,157,202)(H,158,203)(H,159,198)(H,160,192)(H,161,194)(H,162,204)(H,163,195)(H,164,199)(H,165,185)(H,166,196)(H,167,200)(H,168,201)(H,186,187)(H,207,208)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t74-,75-,76-,77-,78+,82?,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,97-,104-,105-,106-,107-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50507989
(CHEMBL4445670)Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50587774
(CHEMBL5203051)Show SMILES CC(=O)OCOC(=O)CN(CC(=O)N(CC(=O)OCOC(C)=O)CC(=O)N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)C(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Mus musculus) | BDBM50507989
(CHEMBL4445670)Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50587769
(CHEMBL5181354)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)CCC(O)=O |r,THB:23:31:6:3.2.4,29:30:6:3.2.4,10:9:6:3.2.4,16:32:6:3.2.4| | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50587784
(CHEMBL5202249)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)P(O)(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)N2CCN(CC2)c2cc(Nc3cc([nH]n3)C3CC3)nc(C)n2)nn1)C(N)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50587775
(CHEMBL5192851)Show SMILES N[C@@H](CCCCNC(=O)Cc1c(Br)c(Br)c(Br)c2[nH]nnc12)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50587777
(CHEMBL5174190)Show SMILES Nc1nn(CCCCCC(=O)NCCCCC#C)c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50587783
(CHEMBL5206201)Show SMILES Cc1nc(Nc2cc([nH]n2)C2CC2)cc(n1)N1CCN(CC1)C(=O)CCC#C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | KEGG
UniProtKB/SwissProt
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PC cid
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PDB
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Patents
Similars
| Article
PubMed
| n/a | n/a | 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50587776
(CHEMBL5184966) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50587768
(CHEMBL5172395)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r| | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM50142887
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19) | PDB
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| n/a | n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM50587782
(CHEMBL5209202)Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(C)=O)C(=O)N[C@H](Cc1ccc(NC(=O)CCCCCn2cc(nn2)-c2ccc(cc2)-n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc23)cc1)C(=O)NCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C)C(N)=O |r| | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50331791
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1 | PDB
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| n/a | n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587766
(CHEMBL5199572)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(N)=O |r| | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587781
(CHEMBL5169980)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r| | PDB
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B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587780
(CHEMBL5209851)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(N)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587779
(CHEMBL5194339)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)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)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587778
(CHEMBL5198165)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(N)=O |r| | PDB
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UniChem
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50587773
(CHEMBL5190946)Show SMILES NCCCCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)CCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)c1ccc([se]1)-c1ccnc(N)n1)C(N)=O | PDB
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NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0130 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50587772
(CHEMBL5185265)Show SMILES C[C@@H](NC(=O)CCCCCNC(=O)c1ccc([se]1)-c1ccnc(N)n1)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)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C([O-])=O)c3ccc(cc3oc2c1)=[N+](C)C)C(N)=O |r| | PDB
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NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0420 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50587771
(CHEMBL5183651)Show SMILES NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)C1N=CN=C2NC=CC12)C(N)=O |r,c:92,97,t:94| | PDB
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| PC cid
PC sid
UniChem
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| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50587771
(CHEMBL5183651)Show SMILES NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)C1N=CN=C2NC=CC12)C(N)=O |r,c:92,97,t:94| | KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 3
(Homo sapiens (Human)) | BDBM50142887
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50587766
(CHEMBL5199572)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(N)=O |r| | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 3
(Homo sapiens (Human)) | BDBM50587767
(CHEMBL5172097)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCOCCOCCC(=O)NCOCCOCCC(=O)NC(CCCCNC(=O)CCOCCOCNC(=O)CCOCCOCNC(=O)CNC(=O)CNC(=O)CNCCCn1cc(nn1)-c1cccc(c1)-n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12)C(=O)N[C@@H](CCC(O)=O)C(=O)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this
Ligand-Target Pair | |
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