Found 7 hits with Last Name = 'scheuer' and Initial = 'pj' 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 |
|---|
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50478481
(Bastadin 14)Show SMILES O\N=C1/Cc2ccc(Oc3cc(C\C(=N/O)C(=O)N\C=C\c4cc(Br)c(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2 |t:19| Show InChI InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3+,42-25+,43-26+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawaii
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2 |
J Nat Prod 56: 153-7 (1993)
Article DOI: 10.1021/np50091a025
BindingDB Entry DOI: 10.7270/Q26W9DV1 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50478481
(Bastadin 14)Show SMILES O\N=C1/Cc2ccc(Oc3cc(C\C(=N/O)C(=O)N\C=C\c4cc(Br)c(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2 |t:19| Show InChI InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3+,42-25+,43-26+ | 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 | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawaii
Curated by ChEMBL
| Assay Description
Inhibition of DHFR |
J Nat Prod 56: 153-7 (1993)
Article DOI: 10.1021/np50091a025
BindingDB Entry DOI: 10.7270/Q26W9DV1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50003299
(CHEMBL469919)Show SMILES [Na+].[H][C@]12CCCC(C)(C)[C@]1([H])CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@]21[H])=C\OS([O-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.Na/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);/q;+1/p-1/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aoyama Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
J Nat Prod 61: 248-50 (1998)
Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50003300
(CHEMBL444779)Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@]12CCCC(C)(C)[C@]1([H])CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@]21[H])=C\OS([O-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.C8H13N5O/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);4,8H,9H2,1-3H3/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aoyama Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
J Nat Prod 61: 248-50 (1998)
Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50003297
(CHEMBL474265)Show SMILES [#6]\[#7+](-[#6])=[#6](\[#7])-[#7].[H][C@]12[#6]-[#6]-[#6]C([#6])([#6])[C@]1([H])[#6]-[#6][C@]1([#6])[#6@@H](-[#6]-[#6]-c3ccoc3)\[#6](-[#6]-[#6][C@]21[H])=[#6]\[#8]S([#8-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.C3H9N3/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-6(2)3(4)5/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);1-2H3,(H3,4,5)/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aoyama Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
J Nat Prod 61: 248-50 (1998)
Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50003298
(halisulphatesodium)Show SMILES [Na+].[H][C@@]12CCC[C@@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H48O6S.Na/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);/q;+1/p-1/b21-13+;/t22-,24+,27-,28+,30+;/m1./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aoyama Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
J Nat Prod 61: 248-50 (1998)
Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50003296
(CHEMBL507385 | halisulphate1-methylherbipoline)Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@@]12CCC[C@@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H48O6S.C8H13N5O/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);4,8H,9H2,1-3H3/b21-13+;/t22-,24+,27-,28+,30+;/m1./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aoyama Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
J Nat Prod 61: 248-50 (1998)
Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04 |
More data for this
Ligand-Target Pair | |
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