Found 586 hits with Last Name = 'lee' and Initial = 'ca' 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 |
|---|
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123324
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against IMPDH II with respect to IMP and NAD |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM50423541
(DANAZOL | Danocrine | WIN-17757)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Mixed inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH |
Drug Metab Dispos 40: 943-51 (2012)
Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065621
(CHEMBL94688 | [(S)-1-((S)-1-{(S)-3-Carbamoyl-1-[2-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)\C=C1/CCCOC1=O Show InChI InChI=1S/C33H42N4O7/c1-22(2)18-27(37-33(42)44-21-24-12-7-4-8-13-24)31(40)36-28(19-23-10-5-3-6-11-23)30(39)35-26(15-16-29(34)38)20-25-14-9-17-43-32(25)41/h3-8,10-13,20,22,26-28H,9,14-19,21H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,42)/b25-20+/t26-,27-,28-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Catalytic rate constant (Kobs/[I]) of the compound was evaluated against human rhinovirus (HRV) serotype 14 3C Protease (3CP) |
J Med Chem 41: 2806-18 (1998)
Article DOI: 10.1021/jm980068d
BindingDB Entry DOI: 10.7270/Q29G5KZQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123335
(2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C21H18N2O3/c1-12-4-5-14(6-13(12)2)17-8-19(24)15-7-16(21-10-22-11-26-21)20(25-3)9-18(15)23-17/h4-11H,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123332
(7-Methoxy-2-(4-methoxy-phenyl)-6-oxazol-5-yl-1H-qu...)Show SMILES COc1ccc(cc1)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1 Show InChI InChI=1S/C20H16N2O4/c1-24-13-5-3-12(4-6-13)16-8-18(23)14-7-15(20-10-21-11-26-20)19(25-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123317
(7-Methoxy-6-oxazol-5-yl-2-p-tolyl-1H-quinolin-4-on...)Show InChI InChI=1S/C20H16N2O3/c1-12-3-5-13(6-4-12)16-8-18(23)14-7-15(20-10-21-11-25-20)19(24-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50222633
(CHEMBL356881)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(OCC2CCCO2)c1 Show InChI InChI=1S/C25H24N2O5/c1-15-5-6-16(8-23(15)31-13-17-4-3-7-30-17)20-10-22(28)18-9-19(25-12-26-14-32-25)24(29-2)11-21(18)27-20/h5-6,8-12,14,17H,3-4,7,13H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50222630
(CHEMBL153481)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(OCCN2CCOCC2)c1 Show InChI InChI=1S/C26H27N3O5/c1-17-3-4-18(11-24(17)33-10-7-29-5-8-32-9-6-29)21-13-23(30)19-12-20(26-15-27-16-34-26)25(31-2)14-22(19)28-21/h3-4,11-16H,5-10H2,1-2H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123355
(2-(3-Dimethylamino-indan-5-yl)-7-methoxy-6-oxazol-...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N(C)C)c2c1 Show InChI InChI=1S/C24H23N3O3/c1-27(2)21-7-6-14-4-5-15(8-16(14)21)19-10-22(28)17-9-18(24-12-25-13-30-24)23(29-3)11-20(17)26-19/h4-5,8-13,21H,6-7H2,1-3H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50126275
(CHEMBL280793 | Isoquinolin-6-yl-(5-phenyl-oxazol-2...)Show InChI InChI=1S/C18H13N3O/c1-2-4-13(5-3-1)17-12-20-18(22-17)21-16-7-6-15-11-19-9-8-14(15)10-16/h1-12H,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II) |
Bioorg Med Chem Lett 13: 1345-8 (2003)
BindingDB Entry DOI: 10.7270/Q2CV4H3Q |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123333
(2-(4-Bromo-phenyl)-7-methoxy-6-oxazol-5-yl-1H-quin...)Show InChI InChI=1S/C19H13BrN2O3/c1-24-18-8-16-13(6-14(18)19-9-21-10-25-19)17(23)7-15(22-16)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123358
(7-Methoxy-2-(4-methyl-3-morpholin-4-yl-phenyl)-6-o...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(c1)N1CCOCC1 Show InChI InChI=1S/C24H23N3O4/c1-15-3-4-16(9-21(15)27-5-7-30-8-6-27)19-11-22(28)17-10-18(24-13-25-14-31-24)23(29-2)12-20(17)26-19/h3-4,9-14H,5-8H2,1-2H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123355
(2-(3-Dimethylamino-indan-5-yl)-7-methoxy-6-oxazol-...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N(C)C)c2c1 Show InChI InChI=1S/C24H23N3O3/c1-27(2)21-7-6-14-4-5-15(8-16(14)21)19-10-22(28)17-9-18(24-12-25-13-30-24)23(29-3)11-20(17)26-19/h4-5,8-13,21H,6-7H2,1-3H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123321
(7-Methoxy-6-oxazol-5-yl-2-m-tolyl-1H-quinolin-4-on...)Show InChI InChI=1S/C20H16N2O3/c1-12-4-3-5-13(6-12)16-8-18(23)14-7-15(20-10-21-11-25-20)19(24-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123355
(2-(3-Dimethylamino-indan-5-yl)-7-methoxy-6-oxazol-...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N(C)C)c2c1 Show InChI InChI=1S/C24H23N3O3/c1-27(2)21-7-6-14-4-5-15(8-16(14)21)19-10-22(28)17-9-18(24-12-25-13-30-24)23(29-3)11-20(17)26-19/h4-5,8-13,21H,6-7H2,1-3H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50133731
(CHEMBL118988 | {3-[3-(4-Cyano-3-methoxy-phenyl)-ur...)Show SMILES CC[C@H](CC#N)OC(=O)NCc1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1 Show InChI InChI=1S/C22H23N5O4/c1-3-19(9-10-23)31-22(29)25-14-15-5-4-6-17(11-15)26-21(28)27-18-8-7-16(13-24)20(12-18)30-2/h4-8,11-12,19H,3,9,14H2,1-2H3,(H,25,29)(H2,26,27,28)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme |
Bioorg Med Chem Lett 13: 3557-60 (2003)
BindingDB Entry DOI: 10.7270/Q2J67G94 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123353
(2-(3-Azetidin-1-yl-indan-5-yl)-7-methoxy-6-oxazol-...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N3CCC3)c2c1 Show InChI InChI=1S/C25H23N3O3/c1-30-24-12-21-18(10-19(24)25-13-26-14-31-25)23(29)11-20(27-21)16-4-3-15-5-6-22(17(15)9-16)28-7-2-8-28/h3-4,9-14,22H,2,5-8H2,1H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50120529
(Acetic acid (methyl-{2-[2-(3-oxazol-5-yl-1H-indol-...)Show SMILES CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1 Show InChI InChI=1S/C25H21N5O5/c1-15(31)33-13-24(32)30(2)21-6-4-3-5-18(21)23-12-28-25(35-23)29-16-7-8-17-19(10-27-20(17)9-16)22-11-26-14-34-22/h3-12,14,27H,13H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme |
Bioorg Med Chem Lett 13: 3557-60 (2003)
BindingDB Entry DOI: 10.7270/Q2J67G94 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50120529
(Acetic acid (methyl-{2-[2-(3-oxazol-5-yl-1H-indol-...)Show SMILES CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1 Show InChI InChI=1S/C25H21N5O5/c1-15(31)33-13-24(32)30(2)21-6-4-3-5-18(21)23-12-28-25(35-23)29-16-7-8-17-19(10-27-20(17)9-16)22-11-26-14-34-22/h3-12,14,27H,13H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined |
Bioorg Med Chem Lett 12: 3305-8 (2002)
BindingDB Entry DOI: 10.7270/Q2Q81CD6 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19284
(Acridone-Based Inhibitor, 4h | N-{2-[3-(dimethylsu...)Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F Show InChI InChI=1S/C25H24FN3O4S/c1-25(2,15-8-7-9-16(12-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-10-5-6-11-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31) | 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 | 7.90 | n/a | 380 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123324
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123324
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II) |
Bioorg Med Chem Lett 13: 1273-6 (2003)
BindingDB Entry DOI: 10.7270/Q2T1530J |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123324
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of inosine-5'-monophosphate dehydrogenase 2. |
Bioorg Med Chem Lett 13: 2059-63 (2003)
BindingDB Entry DOI: 10.7270/Q22Z14X1 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123320
(7-Methoxy-6-oxazol-5-yl-2-thiophen-3-yl-1H-quinoli...)Show InChI InChI=1S/C17H12N2O3S/c1-21-16-6-14-11(4-12(16)17-7-18-9-22-17)15(20)5-13(19-14)10-2-3-23-8-10/h2-9H,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 543-6 (2003)
BindingDB Entry DOI: 10.7270/Q2SJ1JZT |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50102249
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 45: 2127-30 (2002)
BindingDB Entry DOI: 10.7270/Q21R6R71 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50222632
(CHEMBL356236)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCCC(=O)c2c1 Show InChI InChI=1S/C23H18N2O4/c1-28-22-10-19-16(8-17(22)23-11-24-12-29-23)21(27)9-18(25-19)14-6-5-13-3-2-4-20(26)15(13)7-14/h5-12H,2-4H2,1H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50112565
(CHEMBL25138 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of inosine-5'-monophosphate dehydrogenase 2. |
Bioorg Med Chem Lett 13: 2059-63 (2003)
BindingDB Entry DOI: 10.7270/Q22Z14X1 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50102249
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19283
(Acridone-Based Inhibitor, 4g | N-{2-[4-(dimethylsu...)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F Show InChI InChI=1S/C25H24FN3O4S/c1-25(2,15-9-11-16(12-10-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-7-5-6-8-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31) | 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 | 10 | n/a | 660 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50112565
(CHEMBL25138 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2 |
Bioorg Med Chem Lett 12: 1323-6 (2002)
BindingDB Entry DOI: 10.7270/Q2NG4PX7 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50113219
(CHEMBL68075 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...)Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)Cn2cccn2)ccc1-c1cnco1 Show InChI InChI=1S/C25H22N6O4/c1-30(24(32)15-31-11-5-10-28-31)20-7-4-3-6-18(20)23-14-27-25(35-23)29-17-8-9-19(21(12-17)33-2)22-13-26-16-34-22/h3-14,16H,15H2,1-2H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 45: 2127-30 (2002)
BindingDB Entry DOI: 10.7270/Q21R6R71 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50120535
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-p-tolyl-urea | C...)Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(c[nH]c3c2)-c2cnco2)cc1 Show InChI InChI=1S/C19H16N4O2/c1-12-2-4-13(5-3-12)22-19(24)23-14-6-7-15-16(9-21-17(15)8-14)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme |
Bioorg Med Chem Lett 13: 3557-60 (2003)
BindingDB Entry DOI: 10.7270/Q2J67G94 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50102249
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme |
Bioorg Med Chem Lett 13: 3557-60 (2003)
BindingDB Entry DOI: 10.7270/Q2J67G94 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50120535
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-p-tolyl-urea | C...)Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(c[nH]c3c2)-c2cnco2)cc1 Show InChI InChI=1S/C19H16N4O2/c1-12-2-4-13(5-3-12)22-19(24)23-14-6-7-15-16(9-21-17(15)8-14)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined |
Bioorg Med Chem Lett 12: 3305-8 (2002)
BindingDB Entry DOI: 10.7270/Q2Q81CD6 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123350
(CHEMBL423952 | Dimethyl-carbamic acid 6-(7-methoxy...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(OC(=O)N(C)C)c2c1 Show InChI InChI=1S/C25H23N3O5/c1-28(2)25(30)33-22-7-6-14-4-5-15(8-16(14)22)19-10-21(29)17-9-18(24-12-26-13-32-24)23(31-3)11-20(17)27-19/h4-5,8-13,22H,6-7H2,1-3H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19277
(2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydr...)Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1 Show InChI InChI=1S/C23H19FN2O2/c1-23(2,14-8-4-3-5-9-14)26-22(28)16-13-20-17(12-18(16)24)21(27)15-10-6-7-11-19(15)25-20/h3-13H,1-2H3,(H,25,27)(H,26,28) | 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 | 11 | n/a | 830 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19279
(2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,1...)Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1 Show InChI InChI=1S/C22H18FN3O2/c1-22(2,13-6-5-9-24-12-13)26-21(28)15-11-19-16(10-17(15)23)20(27)14-7-3-4-8-18(14)25-19/h3-12H,1-2H3,(H,25,27)(H,26,28) | 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 | 11 | n/a | 420 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19292
(2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-...)Show SMILES Cc1cc(cnc1N1CCOCC1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F Show InChI InChI=1S/C27H27FN4O3/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | 870 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50113230
(BMS-337197 | CHEMBL64830 | N-{2-[2-(3-Methoxy-4-ox...)Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN2CCOCC2)ccc1-c1cnco1 Show InChI InChI=1S/C26H27N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 45: 2127-30 (2002)
BindingDB Entry DOI: 10.7270/Q21R6R71 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM50423541
(DANAZOL | Danocrine | WIN-17757)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 | UniProtKB/SwissProt
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PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation preincubated for 30 mins followed by substrate addition in pres... |
Drug Metab Dispos 40: 943-51 (2012)
Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123348
(2-Methoxy-N-[6-(7-methoxy-6-oxazol-5-yl-4-oxo-1,4-...)Show SMILES COCC(=O)N(C)C1CCc2ccc(cc12)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1 Show InChI InChI=1S/C26H25N3O5/c1-29(26(31)13-32-2)22-7-6-15-4-5-16(8-17(15)22)20-10-23(30)18-9-19(25-12-27-14-34-25)24(33-3)11-21(18)28-20/h4-5,8-12,14,22H,6-7,13H2,1-3H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123376
(7-Methoxy-2-(3-methylamino-indan-5-yl)-6-oxazol-5-...)Show SMILES CNC1CCc2ccc(cc12)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1 Show InChI InChI=1S/C23H21N3O3/c1-24-18-6-5-13-3-4-14(7-15(13)18)19-9-21(27)16-8-17(23-11-25-12-29-23)22(28-2)10-20(16)26-19/h3-4,7-12,18,24H,5-6H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
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| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19281
(2-fluoro-N-[2-(4-methanesulfonylphenyl)propan-2-yl...)Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H21FN2O4S/c1-24(2,14-8-10-15(11-9-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-6-4-5-7-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
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PubMed
| n/a | n/a | 12 | n/a | 480 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19282
(2-fluoro-N-[2-(3-methanesulfonylphenyl)propan-2-yl...)Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C24H21FN2O4S/c1-24(2,14-7-6-8-15(11-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-9-4-5-10-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 12 | n/a | 580 | n/a | n/a | 8.0 | 25 |
Bristol-Myers Squibb Company
| Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b... |
J Med Chem 50: 3730-42 (2007)
Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50113233
(CHEMBL66614 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...)Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)Cn2cncn2)ccc1-c1cnco1 Show InChI InChI=1S/C24H21N7O4/c1-30(23(32)12-31-14-26-13-28-31)19-6-4-3-5-17(19)22-11-27-24(35-22)29-16-7-8-18(20(9-16)33-2)21-10-25-15-34-21/h3-11,13-15H,12H2,1-2H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 45: 2127-30 (2002)
BindingDB Entry DOI: 10.7270/Q21R6R71 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50113215
(CHEMBL67036 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...)Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CCN2CCOCC2)ccc1-c1cnco1 Show InChI InChI=1S/C27H29N5O5/c1-31(26(33)9-10-32-11-13-35-14-12-32)22-6-4-3-5-20(22)25-17-29-27(37-25)30-19-7-8-21(23(15-19)34-2)24-16-28-18-36-24/h3-8,15-18H,9-14H2,1-2H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 45: 2127-30 (2002)
BindingDB Entry DOI: 10.7270/Q21R6R71 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123361
(7-Methoxy-6-oxazol-5-yl-2-(3-pyrrolidin-1-yl-indan...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N3CCCC3)c2c1 Show InChI InChI=1S/C26H25N3O3/c1-31-25-13-22-19(11-20(25)26-14-27-15-32-26)24(30)12-21(28-22)17-5-4-16-6-7-23(18(16)10-17)29-8-2-3-9-29/h4-5,10-15,23H,2-3,6-9H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ | PDB
MMDB
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CHEMBL
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PDB
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 45: 2127-30 (2002)
BindingDB Entry DOI: 10.7270/Q21R6R71 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50123367
(7-Methoxy-2-(2-methyl-2,3-dihydro-1H-isoindol-5-yl...)Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CN(C)Cc2c1 Show InChI InChI=1S/C22H19N3O3/c1-25-10-14-4-3-13(5-15(14)11-25)18-7-20(26)16-6-17(22-9-23-12-28-22)21(27-2)8-19(16)24-18/h3-9,12H,10-11H2,1-2H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
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UniChem
Patents
Similars
| DrugBank
PDB
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb PRI
Curated by ChEMBL
| Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II |
Bioorg Med Chem Lett 13: 547-51 (2003)
BindingDB Entry DOI: 10.7270/Q2NS0T7H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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