Found 19 hits for monomerid = 50090850 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Adenosine Receptors A2a (A2a)
(Rattus norvegicus (rat)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity at rat brain Adenosine A2A receptor in CHO cells |
J Med Chem 44: 4125-36 (2001)
BindingDB Entry DOI: 10.7270/Q2Z60PSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a and A3
(Rattus norvegicus) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity at rat adenosine A3 receptor in RBL-2H3 cells |
J Med Chem 44: 4125-36 (2001)
BindingDB Entry DOI: 10.7270/Q2Z60PSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity at rat brain Adenosine A1 receptor |
J Med Chem 44: 4125-36 (2001)
BindingDB Entry DOI: 10.7270/Q2Z60PSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 |
J Med Chem 46: 4847-59 (2003)
Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 |
J Med Chem 46: 4847-59 (2003)
Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
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| 425 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cells |
J Med Chem 44: 4125-36 (2001)
BindingDB Entry DOI: 10.7270/Q2Z60PSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 492 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 |
J Med Chem 46: 4847-59 (2003)
Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 534 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 |
J Med Chem 46: 4847-59 (2003)
Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 604 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 |
J Med Chem 46: 4847-59 (2003)
Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584 |
More data for this Ligand-Target Pair | |
S-adenosylmethionine decarboxylase 1
(Rattus norvegicus) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
KEGG
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| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 550-6 (1982)
BindingDB Entry DOI: 10.7270/Q2VX0H37 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
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| 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells |
J Med Chem 44: 4125-36 (2001)
BindingDB Entry DOI: 10.7270/Q2Z60PSZ |
More data for this Ligand-Target Pair | |
S-adenosylmethionine decarboxylase 1
(Rattus norvegicus) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
KEGG
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| 1.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine |
J Med Chem 25: 550-6 (1982)
BindingDB Entry DOI: 10.7270/Q2VX0H37 |
More data for this Ligand-Target Pair | |
Adenosine Kinase (AK)
(Rattus norvegicus (rat)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of Adenosine kinase of rat brain cytosol. |
Bioorg Med Chem Lett 11: 2419-22 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V1S |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 6.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells. |
J Med Chem 44: 2133-8 (2001)
BindingDB Entry DOI: 10.7270/Q25D8R47 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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Patents
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| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2883-93 (2000)
BindingDB Entry DOI: 10.7270/Q2XG9QCV |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University
Curated by ChEMBL
| Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli... |
J Med Chem 62: 4483-4499 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00020 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant placental SAH |
Bioorg Med Chem Lett 17: 4456-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.013 BindingDB Entry DOI: 10.7270/Q2QN66GQ |
More data for this Ligand-Target Pair | |
Adenosine Kinase (AK)
(Rattus norvegicus (rat)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of Adenosine kinase (AK) |
J Med Chem 44: 2133-8 (2001)
BindingDB Entry DOI: 10.7270/Q25D8R47 |
More data for this Ligand-Target Pair | |