Found 880 hits with Last Name = 'song' and Initial = 'd' 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 |
|---|
Aurora kinase A
(Mus musculus (mouse)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
MMDB
Reactome pathway
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP |
ACS Med Chem Lett 6: 630-4 (2015)
Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50237707
(A-804598 | CHEMBL1628690)Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM198970
(BDBM199009 | BDBM199010 | US9221832, 34)Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23) | PDB
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| Article
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50416603
(CHEMBL1222883)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Mus musculus (mouse)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
MMDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP |
ACS Med Chem Lett 6: 630-4 (2015)
Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50410956
(CHEMBL437703)Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2 | PDB
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50237707
(A-804598 | CHEMBL1628690)Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1 | PDB
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50587051
(CHEMBL5086274)Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50267791
(AZD-9056 | AZD9056)Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24| Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50410956
(CHEMBL437703)Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633493
(3-(6-amino-1-(4-amino-3-(trifluoromethyl)benzyl)-1...)Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 | PDB
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| US Patent
| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633494
(3-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...)Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3c(F)cccc3F)c2n1 | PDB
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| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633492
(US11806350, Compound 210)Show SMILES Nc1nc(-c2cccc(c2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 | PDB
Reactome pathway
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| US Patent
| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633490
(3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)c(F)c1 | PDB
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| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633489
(3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 | PDB
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| US Patent
| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633466
(US11806350, Compound 206)Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)ccc1N | PDB
Reactome pathway
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| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM298418
(3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...)Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)O Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,39,49-51H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53) | PDB
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| <20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Mus musculus) | BDBM50410956
(CHEMBL437703)Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2 | PDB
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50318021
(2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...)Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1 Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26) | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50587051
(CHEMBL5086274)Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50234965
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32) | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Mus musculus) | BDBM50237707
(A-804598 | CHEMBL1628690)Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50410955
(A-438079 | CHEMBL377219)Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2 | PDB
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| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50585248
(CHEMBL2338352)Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1 | PDB
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UniChem
| Article
PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM298433
(US11806350, Compound 204)Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCC1CCN(C)CC1 Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-34(39(57-6)35(25-28)50-59(7,54)55)48-42(53)47-33-14-15-36(31-11-9-8-10-30(31)33)58-38-17-21-45-41(49-38)46-29-12-13-32(37(26-29)56-5)40(52)44-20-16-27-18-22-51(4)23-19-27/h8-15,17,21,24-27,50H,16,18-20,22-23H2,1-7H3,(H,44,52)(H,45,46,49)(H2,47,48,53) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
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NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633491
(3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...)Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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UniChem
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Mus musculus) | BDBM198970
(BDBM199009 | BDBM199010 | US9221832, 34)Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633466
(US11806350, Compound 206)Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)ccc1N | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| PC cid
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UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633489
(3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633490
(3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633503
(6-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633499
(6-[6-amino-1-[(4-amino-2-fluoro-phenyl)methyl]pyra...)Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633494
(3-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...)Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3c(F)cccc3F)c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633493
(3-(6-amino-1-(4-amino-3-(trifluoromethyl)benzyl)-1...)Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633507
(6-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...)Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)ccc1N | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633515
(2-[6-amino-1-[[4-amino-3-(trifluoromethyl)phenyl]m...)Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633511
(6-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...)Show SMILES Nc1nc(-c2cccc(n2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PDB
US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM633492
(US11806350, Compound 210)Show SMILES Nc1nc(-c2cccc(c2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM298418
(3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...)Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)O Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,39,49-51H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
Reactome pathway
KEGG
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| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633515
(2-[6-amino-1-[[4-amino-3-(trifluoromethyl)phenyl]m...)Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633512
(2-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...)Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633511
(6-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...)Show SMILES Nc1nc(-c2cccc(n2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633508
(2-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...)Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)ccc1N | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633507
(6-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...)Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)ccc1N | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM298433
(US11806350, Compound 204)Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCC1CCN(C)CC1 Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-34(39(57-6)35(25-28)50-59(7,54)55)48-42(53)47-33-14-15-36(31-11-9-8-10-30(31)33)58-38-17-21-45-41(49-38)46-29-12-13-32(37(26-29)56-5)40(52)44-20-16-27-18-22-51(4)23-19-27/h8-15,17,21,24-27,50H,16,18-20,22-23H2,1-7H3,(H,44,52)(H,45,46,49)(H2,47,48,53) | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633504
(2-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633503
(6-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...)Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM633500
(2-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...)Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this
Ligand-Target Pair | |
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