Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50041718 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 |
|---|
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413787
(CHEMBL449380)Show InChI InChI=1S/C12H15ClN6O4/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413786
(CHEMBL483954)Show InChI InChI=1S/C11H13ClN6O4/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17) | PDB
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PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413798
(CHEMBL488149)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C15H19ClN6O4/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21) | PDB
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| 0.676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413804
(CHEMBL486171)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O4/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26) | PDB
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PC sid
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PubMed
| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413790
(CHEMBL483969)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1 Show InChI InChI=1S/C15H19ClN6O4/c1-17-11-7-12(21-15(16)20-11)22(5-19-7)14-9(24)8(23)10(26-14)13(25)18-4-6-2-3-6/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,18,25)(H,17,20,21) | PDB
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413791
(CHEMBL483975)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCC(C)C Show InChI InChI=1S/C16H23ClN6O4/c1-7(2)4-5-19-14(26)11-9(24)10(25)15(27-11)23-6-20-8-12(18-3)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,4-5H2,1-3H3,(H,19,26)(H,18,21,22) | PDB
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UniChem
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PubMed
| 1.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413816
(CHEMBL516346)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C19H21ClN6O4/c1-9-5-3-4-6-10(9)7-22-15-11-16(25-19(20)24-15)26(8-23-11)18-13(28)12(27)14(30-18)17(29)21-2/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25) | PDB
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UniChem
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PubMed
| 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413797
(CHEMBL488148)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C14H17ClN6O4/c1-16-12(24)9-7(22)8(23)13(25-9)21-4-17-6-10(18-5-2-3-5)19-14(15)20-11(6)21/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,16,24)(H,18,19,20) | PDB
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PubMed
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413817
(CHEMBL473502)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C20H23ClN6O4/c1-3-22-18(30)15-13(28)14(29)19(31-15)27-9-24-12-16(25-20(21)26-17(12)27)23-8-11-7-5-4-6-10(11)2/h4-7,9,13-15,19,28-29H,3,8H2,1-2H3,(H,22,30)(H,23,25,26) | PDB
Reactome pathway
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PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413803
(CHEMBL487754)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23) | PDB
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PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413789
(CHEMBL521312)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1 Show InChI InChI=1S/C14H17ClN6O4/c1-16-10-6-11(20-14(15)19-10)21(4-17-6)13-8(23)7(22)9(25-13)12(24)18-5-2-3-5/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,18,24)(H,16,19,20) | PDB
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UniChem
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PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413806
(CHEMBL486374)Show SMILES OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H20ClIN6O4/c21-20-26-16(23-7-9-2-1-3-10(22)6-9)12-17(27-20)28(8-24-12)19-14(30)13(29)15(32-19)18(31)25-11-4-5-11/h1-3,6,8,11,13-15,19,29-30H,4-5,7H2,(H,25,31)(H,23,26,27) | PDB
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UniChem
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PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413807
(CHEMBL516058)Show SMILES OC1C(O)C(OC1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O4/c22-21-27-17(24-8-11-2-1-3-12(23)6-11)13-18(28-21)29(9-26-13)20-15(31)14(30)16(33-20)19(32)25-7-10-4-5-10/h1-3,6,9-10,14-16,20,30-31H,4-5,7-8H2,(H,25,32)(H,24,27,28) | PDB
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PubMed
| 3.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413802
(CHEMBL488777)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O4/c1-18-14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(20-7-4-2-3-5-7)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22) | PDB
Reactome pathway
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PubMed
| 4.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413799
(CHEMBL487334)Show SMILES OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C16H19ClN6O4/c17-16-21-12(19-6-1-2-6)8-13(22-16)23(5-18-8)15-10(25)9(24)11(27-15)14(26)20-7-3-4-7/h5-7,9-11,15,24-25H,1-4H2,(H,20,26)(H,19,21,22) | PDB
Reactome pathway
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UniChem
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PubMed
| 5.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413794
(CHEMBL390877)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C18H18ClFN6O4/c1-21-14-10-15(25-18(19)24-14)26(7-23-10)17-12(28)11(27)13(30-17)16(29)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,22,29)(H,21,24,25) | PDB
Reactome pathway
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UniChem
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PubMed
| 17.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413808
(CHEMBL474509)Show SMILES OC1C(O)C(OC1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O4/c22-21-27-17(24-8-10-3-1-4-11(23)7-10)13-18(28-21)29(9-25-13)20-15(31)14(30)16(33-20)19(32)26-12-5-2-6-12/h1,3-4,7,9,12,14-16,20,30-31H,2,5-6,8H2,(H,26,32)(H,24,27,28) | PDB
Reactome pathway
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PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413818
(CHEMBL474310)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1 Show InChI InChI=1S/C21H23ClN6O4/c1-10-4-2-3-5-11(10)8-23-17-13-18(27-21(22)26-17)28(9-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h2-5,9,12,14-16,20,29-30H,6-8H2,1H3,(H,25,31)(H,23,26,27) | PDB
Reactome pathway
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PubMed
| 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413819
(CHEMBL474311)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1 Show InChI InChI=1S/C22H25ClN6O4/c1-11-4-2-3-5-13(11)9-24-18-14-19(28-22(23)27-18)29(10-26-14)21-16(31)15(30)17(33-21)20(32)25-8-12-6-7-12/h2-5,10,12,15-17,21,30-31H,6-9H2,1H3,(H,25,32)(H,24,27,28) | PDB
Reactome pathway
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PubMed
| 29.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413805
(CHEMBL486373)Show SMILES CC(C)CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C22H26ClIN6O4/c1-11(2)6-7-25-20(33)17-15(31)16(32)21(34-17)30-10-27-14-18(28-22(23)29-19(14)30)26-9-12-4-3-5-13(24)8-12/h3-5,8,10-11,15-17,21,31-32H,6-7,9H2,1-2H3,(H,25,33)(H,26,28,29) | PDB
Reactome pathway
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PubMed
| 41.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413795
(CHEMBL488147)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCc1cccc(F)c1 Show InChI InChI=1S/C19H20ClFN6O4/c1-22-15-11-16(26-19(20)25-15)27(8-24-11)18-13(29)12(28)14(31-18)17(30)23-6-5-9-3-2-4-10(21)7-9/h2-4,7-8,12-14,18,28-29H,5-6H2,1H3,(H,23,30)(H,22,25,26) | PDB
Reactome pathway
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PubMed
| 85.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413812
(CHEMBL475320)Show SMILES OC1C(O)C(OC1C(=O)NCc1cccc(Cl)c1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C24H21Cl2IN6O4/c25-14-5-1-3-12(7-14)10-29-22(36)19-17(34)18(35)23(37-19)33-11-30-16-20(31-24(26)32-21(16)33)28-9-13-4-2-6-15(27)8-13/h1-8,11,17-19,23,34-35H,9-10H2,(H,29,36)(H,28,31,32) | PDB
Reactome pathway
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PubMed
| 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413815
(CHEMBL457481)Show SMILES OC1C(O)C(OC1C(=O)NCCC(c1ccccc1)c1ccccc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C32H30ClIN6O4/c33-32-38-28(36-17-19-8-7-13-22(34)16-19)24-29(39-32)40(18-37-24)31-26(42)25(41)27(44-31)30(43)35-15-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,18,23,25-27,31,41-42H,14-15,17H2,(H,35,43)(H,36,38,39) | PDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413813
(CHEMBL513368)Show SMILES OC1C(O)C(OC1C(=O)NCc1cccc(c1)C(F)(F)F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C25H21ClF3IN6O4/c26-24-34-20(31-9-13-4-2-6-15(30)8-13)16-21(35-24)36(11-33-16)23-18(38)17(37)19(40-23)22(39)32-10-12-3-1-5-14(7-12)25(27,28)29/h1-8,11,17-19,23,37-38H,9-10H2,(H,32,39)(H,31,34,35) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413796
(CHEMBL520247)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27ClN6O4/c1-28-22-18-23(32-26(27)31-22)33(14-30-18)25-20(35)19(34)21(37-25)24(36)29-13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19-21,25,34-35H,12-13H2,1H3,(H,29,36)(H,28,31,32) | PDB
Reactome pathway
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UniChem
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PubMed
| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413814
(CHEMBL472886)Show SMILES OC1C(O)C(OC1C(=O)NCCc1ccccc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C25H24ClIN6O4/c26-25-31-21(29-12-15-7-4-8-16(27)11-15)17-22(32-25)33(13-30-17)24-19(35)18(34)20(37-24)23(36)28-10-9-14-5-2-1-3-6-14/h1-8,11,13,18-20,24,34-35H,9-10,12H2,(H,28,36)(H,29,31,32) | PDB
Reactome pathway
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PubMed
| 437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413811
(CHEMBL474510)Show SMILES OC1C(O)C(OC1C(=O)N1CCOCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O5/c22-21-26-17(24-9-11-2-1-3-12(23)8-11)13-18(27-21)29(10-25-13)20-15(31)14(30)16(34-20)19(32)28-4-6-33-7-5-28/h1-3,8,10,14-16,20,30-31H,4-7,9H2,(H,24,26,27) | PDB
Reactome pathway
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PubMed
| 513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413823
(CHEMBL514483)Show SMILES CN(C)C(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C20H23ClN6O4/c1-10-6-4-5-7-11(10)8-22-16-12-17(25-20(21)24-16)27(9-23-12)19-14(29)13(28)15(31-19)18(30)26(2)3/h4-7,9,13-15,19,28-29H,8H2,1-3H3,(H,22,24,25) | PDB
Reactome pathway
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PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413809
(CHEMBL462540)Show SMILES OC1C(O)C(OC1C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C29H30ClIN6O4/c30-29-34-25(32-15-19-7-4-8-20(31)14-19)21-26(35-29)37(16-33-21)28-23(39)22(38)24(41-28)27(40)36-11-9-18(10-12-36)13-17-5-2-1-3-6-17/h1-8,14,16,18,22-24,28,38-39H,9-13,15H2,(H,32,34,35) | PDB
Reactome pathway
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PubMed
| 871 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413810
(CHEMBL500736)Show SMILES OC1C(O)C(OC1C(=O)N1CCN(CC1)c1ccc(F)cc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C27H26ClFIN7O4/c28-27-33-23(31-13-15-2-1-3-17(30)12-15)19-24(34-27)37(14-32-19)26-21(39)20(38)22(41-26)25(40)36-10-8-35(9-11-36)18-6-4-16(29)5-7-18/h1-7,12,14,20-22,26,38-39H,8-11,13H2,(H,31,33,34) | PDB
Reactome pathway
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PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413788
(CHEMBL483802)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N(C)C Show InChI InChI=1S/C13H17ClN6O4/c1-15-9-5-10(18-13(14)17-9)20(4-16-5)12-7(22)6(21)8(24-12)11(23)19(2)3/h4,6-8,12,21-22H,1-3H3,(H,15,17,18) | PDB
Reactome pathway
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PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413793
(CHEMBL483813)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23ClFN7O4/c1-24-17-13-18(27-21(22)26-17)30(10-25-13)20-15(32)14(31)16(34-20)19(33)29-8-6-28(7-9-29)12-4-2-11(23)3-5-12/h2-5,10,14-16,20,31-32H,6-9H2,1H3,(H,24,26,27) | PDB
Reactome pathway
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UniChem
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PubMed
| 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413792
(CHEMBL485165)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H27ClN6O4/c1-25-19-15-20(28-23(24)27-19)30(12-26-15)22-17(32)16(31)18(34-22)21(33)29-9-7-14(8-10-29)11-13-5-3-2-4-6-13/h2-6,12,14,16-18,22,31-32H,7-11H2,1H3,(H,25,27,28) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413822
(CHEMBL485164)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCOCC1 Show InChI InChI=1S/C15H19ClN6O5/c1-17-11-7-12(20-15(16)19-11)22(6-18-7)14-9(24)8(23)10(27-14)13(25)21-2-4-26-5-3-21/h6,8-10,14,23-24H,2-5H2,1H3,(H,17,19,20) | PDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| 3.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413800
(CHEMBL488576)Show SMILES OC1C(O)C(OC1C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C25H29ClN6O4/c26-25-29-21(28-16-6-7-16)17-22(30-25)32(13-27-17)24-19(34)18(33)20(36-24)23(35)31-10-8-15(9-11-31)12-14-4-2-1-3-5-14/h1-5,13,15-16,18-20,24,33-34H,6-12H2,(H,28,29,30) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413801
(CHEMBL529896)Show SMILES OC1C(O)C(OC1C(=O)N1CCOCC1)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C17H21ClN6O5/c18-17-21-13(20-8-1-2-8)9-14(22-17)24(7-19-9)16-11(26)10(25)12(29-16)15(27)23-3-5-28-6-4-23/h7-8,10-12,16,25-26H,1-6H2,(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413820
(CHEMBL474917)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H25ClN6O5/c1-12-4-2-3-5-13(12)10-24-18-14-19(27-22(23)26-18)29(11-25-14)21-16(31)15(30)17(34-21)20(32)28-6-8-33-9-7-28/h2-5,11,15-17,21,30-31H,6-10H2,1H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413821
(CHEMBL443926)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H33ClN6O4/c1-18-7-5-6-10-21(18)16-32-26-22-27(35-30(31)34-26)37(17-33-22)29-24(39)23(38)25(41-29)28(40)36-13-11-20(12-14-36)15-19-8-3-2-4-9-19/h2-10,17,20,23-25,29,38-39H,11-16H2,1H3,(H,32,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
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