Found 47 hits with Last Name = 'ryu' and Initial = 'sh' 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 |
|---|
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86298
(WKFMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C41H61N9O6S2/c1-25(2)35(41(56)46-31(36(44)51)17-20-57-3)50-39(54)33(18-21-58-4)48-40(55)34(22-26-12-6-5-7-13-26)49-38(53)32(16-10-11-19-42)47-37(52)29(43)23-27-24-45-30-15-9-8-14-28(27)30/h5-9,12-15,24-25,29,31-35,45H,10-11,16-23,42-43H2,1-4H3,(H2,44,51)(H,46,56)(H,47,52)(H,48,55)(H,49,53)(H,50,54)/t29-,31+,32+,33-,34-,35-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86301
(WKWMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C43H62N10O6S2/c1-25(2)37(43(59)49-33(38(46)54)16-19-60-3)53-41(57)35(17-20-61-4)51-42(58)36(22-27-24-48-32-14-8-6-12-29(27)32)52-40(56)34(15-9-10-18-44)50-39(55)30(45)21-26-23-47-31-13-7-5-11-28(26)31/h5-8,11-14,23-25,30,33-37,47-48H,9-10,15-22,44-45H2,1-4H3,(H2,46,54)(H,49,59)(H,50,55)(H,51,58)(H,52,56)(H,53,57)/t30-,33+,34+,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86299
(WHYMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C41H56N10O7S2/c1-23(2)35(41(58)47-31(36(43)53)13-15-59-3)51-38(55)32(14-16-60-4)48-39(56)33(17-24-9-11-27(52)12-10-24)50-40(57)34(19-26-21-44-22-46-26)49-37(54)29(42)18-25-20-45-30-8-6-5-7-28(25)30/h5-12,20-23,29,31-35,45,52H,13-19,42H2,1-4H3,(H2,43,53)(H,44,46)(H,47,58)(H,48,56)(H,49,54)(H,50,57)(H,51,55)/t29-,31+,32-,33-,34+,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86297
(WKYMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C41H61N9O7S2/c1-24(2)35(41(57)46-31(36(44)52)16-19-58-3)50-39(55)33(17-20-59-4)48-40(56)34(21-25-12-14-27(51)15-13-25)49-38(54)32(11-7-8-18-42)47-37(53)29(43)22-26-23-45-30-10-6-5-9-28(26)30/h5-6,9-10,12-15,23-24,29,31-35,45,51H,7-8,11,16-22,42-43H2,1-4H3,(H2,44,52)(H,46,57)(H,47,53)(H,48,56)(H,49,54)(H,50,55)/t29-,31+,32+,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86308
(WRYMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O |wU:32.40,12.16,wD:43.44,20.29,8.8,4.4,(5.12,.93,;6.45,1.7,;6.45,3.24,;7.79,4.01,;7.79,5.55,;9.13,6.26,;10.45,5.52,;10.45,3.98,;11.76,6.17,;13.15,5.32,;14.49,5.99,;14.49,7.53,;15.92,5.25,;15.92,3.67,;14.54,2.87,;14.63,1.34,;13.2,.65,;17.24,5.99,;18.49,5.32,;18.49,3.77,;19.9,6.1,;19.9,7.63,;18.6,8.44,;18.6,9.98,;17.27,10.75,;15.94,9.98,;14.6,10.75,;15.94,8.44,;17.27,7.67,;21.12,5.25,;22.39,6.1,;22.39,7.72,;23.71,5.32,;25.19,6.17,;25.19,7.71,;26.52,8.48,;26.52,10.02,;27.86,10.79,;27.86,12.33,;29.19,10.02,;23.71,3.79,;24.91,3.07,;26.09,3.79,;24.91,1.53,;23.76,.65,;26.25,.76,;27.58,1.53,;27.74,3.06,;29.25,3.38,;30.02,2.04,;31.52,1.72,;32.05,.25,;30.97,-.89,;29.46,-.57,;28.99,.9,;11.83,7.72,;10.58,8.51,;13.17,8.49,;6.52,6.38,;5.25,5.55,;6.52,7.93,)| Show InChI InChI=1S/C41H61N11O7S2/c1-23(2)34(40(59)48-30(35(43)54)15-18-60-3)52-38(57)32(16-19-61-4)50-39(58)33(20-24-11-13-26(53)14-12-24)51-37(56)31(10-7-17-46-41(44)45)49-36(55)28(42)21-25-22-47-29-9-6-5-8-27(25)29/h5-6,8-9,11-14,22-23,28,30-34,47,53H,7,10,15-21,42H2,1-4H3,(H2,43,54)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,57)(H4,44,45,46)/t28-,30+,31+,32-,33-,34-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
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| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86300
(WKYM(F/W)m-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C45H61N9O7S2/c1-62-22-19-35(40(48)56)50-44(60)38(24-28-10-4-3-5-11-28)54-43(59)37(20-23-63-2)52-45(61)39(25-29-15-17-31(55)18-16-29)53-42(58)36(14-8-9-21-46)51-41(57)33(47)26-30-27-49-34-13-7-6-12-32(30)34/h3-7,10-13,15-18,27,33,35-39,49,55H,8-9,14,19-26,46-47H2,1-2H3,(H2,48,56)(H,50,60)(H,51,57)(H,52,61)(H,53,58)(H,54,59)/t33-,35+,36+,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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| PC cid
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UniChem
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| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86302
(WDYMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C39H54N8O9S2/c1-21(2)33(39(56)43-28(34(41)51)13-15-57-3)47-36(53)29(14-16-58-4)44-37(54)30(17-22-9-11-24(48)12-10-22)46-38(55)31(19-32(49)50)45-35(52)26(40)18-23-20-42-27-8-6-5-7-25(23)27/h5-12,20-21,26,28-31,33,42,48H,13-19,40H2,1-4H3,(H2,41,51)(H,43,56)(H,44,54)(H,45,52)(H,46,55)(H,47,53)(H,49,50)/t26-,28+,29-,30-,31+,33-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
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Similars
| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86303
(WKHMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C38H59N11O6S2/c1-22(2)32(38(55)45-28(33(41)50)12-15-56-3)49-36(53)30(13-16-57-4)47-37(54)31(18-24-20-42-21-44-24)48-35(52)29(11-7-8-14-39)46-34(51)26(40)17-23-19-43-27-10-6-5-9-25(23)27/h5-6,9-10,19-22,26,28-32,43H,7-8,11-18,39-40H2,1-4H3,(H2,41,50)(H,42,44)(H,45,55)(H,46,51)(H,47,54)(H,48,52)(H,49,53)/t26-,28+,29+,30-,31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86306
(WEYMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C40H56N8O9S2/c1-22(2)34(40(57)44-29(35(42)52)15-17-58-3)48-38(55)31(16-18-59-4)46-39(56)32(19-23-9-11-25(49)12-10-23)47-37(54)30(13-14-33(50)51)45-36(53)27(41)20-24-21-43-28-8-6-5-7-26(24)28/h5-12,21-22,27,29-32,34,43,49H,13-20,41H2,1-4H3,(H2,42,52)(H,44,57)(H,45,53)(H,46,56)(H,47,54)(H,48,55)(H,50,51)/t27-,29+,30+,31-,32-,34-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 323 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86305
(YMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C24H39N5O5S2/c1-14(2)20(24(34)27-18(21(26)31)9-11-35-3)29-23(33)19(10-12-36-4)28-22(32)17(25)13-15-5-7-16(30)8-6-15/h5-8,14,17-20,30H,9-13,25H2,1-4H3,(H2,26,31)(H,27,34)(H,28,32)(H,29,33)/t17-,18+,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 567 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86307
(WKYMYm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C45H61N9O8S2/c1-63-21-18-35(40(48)57)50-44(61)38(23-27-10-14-30(55)15-11-27)54-43(60)37(19-22-64-2)52-45(62)39(24-28-12-16-31(56)17-13-28)53-42(59)36(9-5-6-20-46)51-41(58)33(47)25-29-26-49-34-8-4-3-7-32(29)34/h3-4,7-8,10-17,26,33,35-39,49,55-56H,5-6,9,18-25,46-47H2,1-2H3,(H2,48,57)(H,50,61)(H,51,58)(H,52,62)(H,53,59)(H,54,60)/t33-,35+,36+,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 671 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86304
(WKDMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C36H57N9O8S2/c1-20(2)30(36(53)41-25(31(39)48)12-15-54-3)45-34(51)27(13-16-55-4)43-35(52)28(18-29(46)47)44-33(50)26(11-7-8-14-37)42-32(49)23(38)17-21-19-40-24-10-6-5-9-22(21)24/h5-6,9-10,19-20,23,25-28,30,40H,7-8,11-18,37-38H2,1-4H3,(H2,39,48)(H,41,53)(H,42,49)(H,43,52)(H,44,50)(H,45,51)(H,46,47)/t23-,25+,26+,27-,28-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM86296
(WKEMVm-NH2)Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C37H59N9O8S2/c1-21(2)31(37(54)42-26(32(40)49)14-17-55-3)46-36(53)29(15-18-56-4)45-35(52)28(12-13-30(47)48)44-34(51)27(11-7-8-16-38)43-33(50)24(39)19-22-20-41-25-10-6-5-9-23(22)25/h5-6,9-10,20-21,24,26-29,31,41H,7-8,11-19,38-39H2,1-4H3,(H2,40,49)(H,42,54)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,47,48)/t24-,26+,27+,28-,29-,31-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pohang University of Science and Technology
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 841-7 (2003)
Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4 |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82310
(Purine, 5)Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29) | PDB
MMDB
Reactome pathway
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PubMed
| 4.30E+3 | -31.9 | 1.02E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM24567
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50303006
(CHEMBL517247 | mulberrofuran D)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+ | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168024
(CHEMBL3800462)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1cc2ccc(-[#8])cc2o1 Show InChI InChI=1S/C34H42O4/c1-22(2)9-7-10-24(5)11-8-12-25(6)14-18-29-31(37)21-30(36)28(17-13-23(3)4)34(29)33-19-26-15-16-27(35)20-32(26)38-33/h9,11,13-16,19-21,35-37H,7-8,10,12,17-18H2,1-6H3/b24-11-,25-14- | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168022
(CHEMBL3797266)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])c2ccoc2c1 Show InChI InChI=1S/C26H26O4/c1-16(2)5-4-6-17(3)7-9-21-22(27)10-8-18-14-24(30-26(18)21)19-13-23(28)20-11-12-29-25(20)15-19/h5,7-8,10-15,27-28H,4,6,9H2,1-3H3/b17-7- | PDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168023
(CHEMBL3800628)Show SMILES [#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])cc3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C30H36O4/c1-20(2)8-6-9-21(3)10-7-11-22(4)12-15-26-27(17-25(32)19-29(26)33-5)30-16-23-13-14-24(31)18-28(23)34-30/h8,10,12-14,16-19,31-32H,6-7,9,11,15H2,1-5H3/b21-10-,22-12- | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50303004
(CHEMBL562810 | mulberrofuran W)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1 Show InChI InChI=1S/C29H34O4/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-14-25-26(16-24(31)17-27(25)32)29-15-22-12-13-23(30)18-28(22)33-29/h7,9,11-13,15-18,30-32H,5-6,8,10,14H2,1-4H3/b20-9-,21-11- | PDB
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168019
(CHEMBL3798170)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] |r| Show InChI InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-12-21-24(32)15-27-28(30(21)35)25(33)16-26(36-27)22-13-14-23(31)20(29(22)34)11-9-18(3)4/h7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3/b19-10-/t26-/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168021
(CHEMBL3800241)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc(cc(-[#8])c2-[#6]=[#6]1)-c1cc2ccc(-[#8])cc2o1 |c:17| Show InChI InChI=1S/C24H24O4/c1-15(2)5-4-9-24(3)10-8-19-20(26)11-17(13-23(19)28-24)21-12-16-6-7-18(25)14-22(16)27-21/h5-8,10-14,25-26H,4,9H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168018
(CHEMBL3798236)Show SMILES [#6]-[#8]-c1cc(-[#8])cc(\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C25H30O3/c1-18(2)6-5-7-19(3)8-15-24-21(16-23(27)17-25(24)28-4)12-9-20-10-13-22(26)14-11-20/h6,8-14,16-17,26-27H,5,7,15H2,1-4H3/b12-9+,19-8- | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Pancreatic triacylglycerol lipase
(Sus scrofa (Pig)) | BDBM50168020
(CHEMBL3797932)Show SMILES [#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C30H36O4/c1-19(2)8-7-9-21(5)11-14-25-27(32)15-12-22-16-29(34-30(22)25)26-17-23(31)18-28(33-6)24(26)13-10-20(3)4/h8,10-12,15-18,31-32H,7,9,13-14H2,1-6H3/b21-11- | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol... |
Bioorg Med Chem Lett 26: 2788-2794 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82329
(Purine, 24)Show SMILES Clc1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H16ClN7O2/c20-14-5-1-12(2-6-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-13-3-7-15(8-4-13)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
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DrugBank
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UniChem
Similars
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PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82307
(Purine, 2)Show SMILES Nc1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1 Show InChI InChI=1S/C20H18F3N7/c21-20(22,23)14-3-1-2-13(8-14)10-26-19-29-17(16-18(30-19)28-11-27-16)25-9-12-4-6-15(24)7-5-12/h1-8,11H,9-10,24H2,(H3,25,26,27,28,29,30) | PDB
MMDB
Reactome pathway
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| PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82308
(Purine, 3)Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H17F3N6/c21-20(22,23)15-8-4-7-14(9-15)11-25-19-28-17(16-18(29-19)27-12-26-16)24-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H3,24,25,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82322
(Purine, 17)Show SMILES FC(F)(F)c1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)15-4-2-1-3-13(15)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-5-7-14(8-6-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82328
(Purine, 23)Show SMILES Clc1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H16ClN7O2/c20-14-3-1-2-13(8-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-6-15(7-5-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82324
(Purine, 19)Show SMILES Fc1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16FN7O2/c20-15-4-2-1-3-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-5-7-14(8-6-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.34E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82327
(Purine, 22)Show SMILES Clc1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16ClN7O2/c20-15-4-2-1-3-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-5-7-14(8-6-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82326
(Purine, 21)Show SMILES Fc1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-14-5-1-12(2-6-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-13-3-7-15(8-4-13)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.88E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82309
(Purine, 4)Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3ncn(C4CCCCO4)c3n2)c1 Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)19-10-6-9-18(13-19)15-30-24-32-22(29-14-17-7-2-1-3-8-17)21-23(33-24)34(16-31-21)20-11-4-5-12-35-20/h1-3,6-10,13,16,20H,4-5,11-12,14-15H2,(H2,29,30,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.34E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82325
(Purine, 20)Show SMILES Fc1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H16FN7O2/c20-14-3-1-2-13(8-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-6-15(7-5-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82306
(Purine, 1)Show SMILES Cn1cnc2c(NCc3ccc(N)cc3)nc(NCc3cccc(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C21H20F3N7/c1-31-12-28-17-18(26-10-13-5-7-16(25)8-6-13)29-20(30-19(17)31)27-11-14-3-2-4-15(9-14)21(22,23)24/h2-9,12H,10-11,25H2,1H3,(H2,26,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.71E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82318
(Purine, 13)Show SMILES C(Nc1nc(NCc2ccc3ccccc3c2)nc2nc[nH]c12)c1ccccc1 Show InChI InChI=1S/C23H20N6/c1-2-6-16(7-3-1)13-24-21-20-22(27-15-26-20)29-23(28-21)25-14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,15H,13-14H2,(H3,24,25,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82323
(Purine, 18)Show SMILES FC(F)(F)c1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-5-1-12(2-6-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-13-3-7-15(8-4-13)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.76E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82313
(Purine, 8)Show SMILES FC(F)(F)c1ccc(CNc2nc(NCc3ccc(cc3)C(F)(F)F)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C21H16F6N6/c22-20(23,24)14-5-1-12(2-6-14)9-28-17-16-18(31-11-30-16)33-19(32-17)29-10-13-3-7-15(8-4-13)21(25,26)27/h1-8,11H,9-10H2,(H3,28,29,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82320
(Purine, 15)Show InChI InChI=1S/C20H20N6/c1-14(16-10-6-3-7-11-16)24-20-25-18(17-19(26-20)23-13-22-17)21-12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82312
(Purine, 7)Show InChI InChI=1S/C19H17ClN6/c20-15-8-6-14(7-9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82315
(Purine, 10)Show InChI InChI=1S/C18H15ClN6/c19-13-8-6-12(7-9-13)10-20-18-24-16-15(21-11-22-16)17(25-18)23-14-4-2-1-3-5-14/h1-9,11H,10H2,(H3,20,21,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82311
(Purine, 6)Show InChI InChI=1S/C19H17ClN6/c20-15-8-4-7-14(9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82319
(Purine, 14)Show InChI InChI=1S/C20H21N7/c21-10-15-7-4-8-16(9-15)12-23-20-26-18(17-19(27-20)25-13-24-17)22-11-14-5-2-1-3-6-14/h1-9,13H,10-12,21H2,(H3,22,23,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82316
(Purine, 11)Show SMILES COc1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C24H25F3N6O/c1-15(2)33-14-30-20-21(28-12-16-7-9-19(34-3)10-8-16)31-23(32-22(20)33)29-13-17-5-4-6-18(11-17)24(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H2,28,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82321
(Purine, 16)Show SMILES Clc1ccccc1CNc1nc(NCc2cccc(c2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16ClN7O2/c20-15-7-2-1-5-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-3-6-14(8-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82317
(Purine, 12)Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3cccc(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C22H20ClF3N6/c1-13(2)32-12-28-18-19(29-17-8-4-7-16(23)10-17)30-21(31-20(18)32)27-11-14-5-3-6-15(9-14)22(24,25)26/h3-10,12-13H,11H2,1-2H3,(H2,27,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
Inositol-trisphosphate 3-kinase A
(Homo sapiens (Human)) | BDBM82314
(Purine, 9)Show InChI InChI=1S/C19H17FN6/c20-15-8-6-14(7-9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | 8.0 | 37 |
New York University
| Assay Description
IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and... |
Chembiochem 3: 897-901 (2002)
Article DOI: 10.1002/1439-7633(20020902)3:9
BindingDB Entry DOI: 10.7270/Q2DJ5D4H |
More data for this
Ligand-Target Pair | |
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