Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50018807 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 |
|---|
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612802
(17-hydroxywortmannin | CHEMBL273832)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |c:15| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK2
(Homo sapiens (Human)) | BDBM50612793
(CHEMBL5266681)Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612791
(CHEMBL5280560)Show SMILES CC(C)[C@H](NC(=O)c1cc(cs1)C1NN2C=CC(=NC2=C1)c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F |r,c:16,18,21| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK2
(Homo sapiens (Human)) | BDBM50612791
(CHEMBL5280560)Show SMILES CC(C)[C@H](NC(=O)c1cc(cs1)C1NN2C=CC(=NC2=C1)c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F |r,c:16,18,21| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612793
(CHEMBL5266681)Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PDB
UniChem
Patents
Similars
| | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50111577
(CHEMBL3605055)Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]cnc4c3)nc3ccccc23)n[nH]1 Show InChI InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30) | PDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612792
(CHEMBL5269042)Show SMILES Fc1ccc(cc1)C1=NC2=CC(NN2C=C1)c1csc(c1)C(=O)N[C@@H](C1CC1)C(F)(F)F |r,c:16,t:8,10| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50612819
(CHEMBL5291042)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[C@]3([H])[#6]-[#6][C@@]4([H])[#6][C@]([H])([#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]2([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]3([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]4-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]3-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]2-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]-1-[#8]S([#8-])(=O)=O)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6] |r| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612804
(CHEMBL13513)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |c:11| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50543600
(CHEMBL4639853)Show SMILES Cc1cc(Nc2cc(Cl)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1 Show InChI InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20) | PDB
MMDB
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MCE
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| | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50612820
(CHEMBL5267246)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[C@]3([H])[#6]-[#6][C@@]4([H])[#6][C@]([H])([#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]2([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]3([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]3-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]2-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]-1-[#8]S([#8-])(=O)=O)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6] |r| | PDB
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UniProtKB/SwissProt
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| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612814
(CHEMBL5277117)Show SMILES Cc1cc(Nc2cc(Cl)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)no1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612807
(CHEMBL5275440)Show SMILES Cc1cc(Nc2cc(C)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50197067
(CHEMBL3913746)Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1 Show InChI InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28) | PDB
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CHEMBL
MCE
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UniChem
Similars
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK2
(Homo sapiens (Human)) | BDBM50612792
(CHEMBL5269042)Show SMILES Fc1ccc(cc1)C1=NC2=CC(NN2C=C1)c1csc(c1)C(=O)N[C@@H](C1CC1)C(F)(F)F |r,c:16,t:8,10| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612790
(CHEMBL5276694)Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)nc3ccccc23)n[nH]1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
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UniChem
| | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612787
(CHEMBL5279228)Show SMILES Nc1nc2cc(Nc3nc(Nc4cc([nH]n4)C4CCC4)c4ccccc4n3)ccc2[nH]1 | PDB
KEGG
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| PC cid
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| | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612812
(CHEMBL5274326)Show SMILES [O-][N+](=O)c1ccc(Oc2nc(Cl)cc(Nc3cc([nH]n3)C3CC3)n2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK2
(Homo sapiens (Human)) | BDBM50612794
(CHEMBL5288376)Show SMILES CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CC4)n3)ccc2C1 | PDB
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| | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612794
(CHEMBL5288376)Show SMILES CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CC4)n3)ccc2C1 | PDB
KEGG
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| PC cid
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UniChem
| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612815
(CHEMBL5281192) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612796
(CHEMBL5287349)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C(O)=C2\C(=C\NCCCC)C(=O)O[C@H](COC)[C@]12C |r,c:15,t:21| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612803
(CHEMBL268976)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC=C1C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612798
(CHEMBL5281260)Show SMILES [H][C@@]12CCC(OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:18| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612813
(CHEMBL5282812)Show SMILES NS(=O)(=O)c1ccc(Oc2nc(Cl)cc(Nc3cc[nH]n3)n2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Rattus norvegicus) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612799
(CHEMBL5270095)Show SMILES [H][C@@]12C[C@@H](Br)C(OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:19| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612808
(CHEMBL5285942)Show SMILES Cc1cc(Nc2cc(nc(Oc3ccc(cc3)[N+]([O-])=O)n2)C(F)(F)F)n[nH]1 | PDB
MMDB
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| | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612795
(CHEMBL276865)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C(O)=C2\C(=C\N(CC)CC)C(=O)O[C@H](COC)[C@]12C |c:15,t:21| | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379177
(2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidi...)Show SMILES CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br Show InChI InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26) | PDB
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| | n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612816
(CHEMBL5267007) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612809
(CHEMBL5269785)Show SMILES Cc1cc(Nc2cc(nc(Oc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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GoogleScholar
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| | n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM153718
(N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C19H22N8O3/c1-13-11-17(24-23-13)20-16-12-18(26-9-7-25(2)8-10-26)22-19(21-16)30-15-5-3-14(4-6-15)27(28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22,23,24) | PDB
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Similars
| | n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612800
(CHEMBL5275891)Show SMILES [H][C@@]12C[C@@H](O)C(OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:19| | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| PC cid
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| | n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612786
(CHEMBL5274568)Show SMILES Nc1ccc(Nc2nc(Nc3cc([nH]n3)C3CC3)c3ccccc3n2)cc1 | PDB
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| PDB
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612817
(CHEMBL5273375)Show SMILES Cc1cc(Nc2cc(Cl)nc(OCc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| | n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612797
(CHEMBL276894)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CCO2)C(=O)O[C@H](COC)[C@]13C |c:15,22,t:20| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| | n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612810
(CHEMBL5272049)Show SMILES CN(C)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)[N+]([O-])=O)n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612788
(CHEMBL5270018)Show SMILES Cc1nc2cc(Nc3nc(Nc4cc([nH]n4)C4CCC4)c4ccccc4n3)ccc2[nH]1 | PDB
KEGG
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| PC cid
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UniChem
| | n/a | n/a | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM50612789
(CHEMBL5278632)Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4cn[nH]c4c3)nc3ccccc23)n[nH]1 | PDB
KEGG
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AffyNet
| PC cid
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| | n/a | n/a | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612801
(CHEMBL5279542)Show SMILES [H][C@@]12C[C@@H](OC(C)=O)C(OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:22| | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612818
(CHEMBL5278884)Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)C(F)(F)F)n[nH]1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
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UniChem
| | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50612821
(CHEMBL5268973)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]-2-[#8]S([#8-])(=O)=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]2([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]3([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]3-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]2-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]1-[#8]S([#8-])(=O)=O |r| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612806
(CHEMBL5290510)Show SMILES C[C@@H]1COCCC1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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| PC cid
PC sid
UniChem
| | n/a | n/a | 419 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612811
(CHEMBL5267751)Show SMILES CC(C)(C)c1cc(Nc2cc(Cl)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
| | n/a | n/a | 627 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-2
(Rattus norvegicus) | BDBM50262685
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2 | PDB
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| PDB
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50612805
(CHEMBL13512)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C=Cc1c(C)c3c(coc3c(O)c21)C(=O)OC |c:9| | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50612822
(CHEMBL5275724)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]-2-[#8]S([#8-])(=O)=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]2([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]2-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]1-[#8]S([#8-])(=O)=O |r| | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 4.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50488841
(3-METHYLADENINE | CHEBI:38635)Show InChI InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 | PDB
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| Purchase
MCE
KEGG
PC cid
PC sid
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UniChem
| | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
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