Found 145 hits with Last Name = 'banerjee' and Initial = 'r' 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 |
|---|
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298756
((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)25(17-40)37-31(45)26(18-41)39(5)32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242131
(CHEMBL4087158)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H17F3N6O2/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242086
(CHEMBL4088514)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N6O2/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242120
(CHEMBL4059779)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C21H17F3N6O3/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)33-21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242116
(CHEMBL4079273)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H17FN6O2/c1-2-9-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)10-3-4-13-5-7-15(21)8-6-13/h5-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242058
(CHEMBL4070936)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1 Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in... |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242118
(CHEMBL4105001)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H17F3N6O2/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298754
((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-23(28(42)38-27(33(47)48)16-21(3)4)35-30(44)26(13-9-10-14-34)39(5)31(45)25(18-41)36-29(43)24(17-40)37-32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,43)(H,37,46)(H,38,42)/t23-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242119
(CHEMBL4081707)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C21H17F3N6O3/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)33-21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242133
(CHEMBL4097296)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1 Show InChI InChI=1S/C20H17FN6O2/c1-2-8-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)9-4-6-13-5-3-7-15(21)10-13/h3,5,7,10-12H,2,8-9H2,1H3,(H,23,24)(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242134
(CHEMBL4075650)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(=O)OCC)c1 Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)20-16-27-30(17-20)15-7-8-18-9-11-19(12-10-18)25(34)36-6-3/h9-12,16-17H,4-6,13-15H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298760
(CHEMBL574766 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-4-5-13-24(28(42)34-23(17-39)16-21(2)3)35-29(43)25(14-9-10-15-33)36-30(44)26(18-40)37-31(45)27(19-41)38-32(46)47-20-22-11-7-6-8-12-22/h6-8,11-12,17,21,23-27,40-41H,4-5,9-10,13-16,18-20,33H2,1-3H3,(H,34,42)(H,35,43)(H,36,44)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242059
(CHEMBL4076435)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C24H23F3N6O3/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)36-24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242084
(CHEMBL4104876)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C#N)c1 Show InChI InChI=1S/C24H23N7O2/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)27-21(28-22)19-15-26-29(16-19)12-6-9-17-7-5-8-18(13-17)14-25/h5,7-8,13,15-16H,3-4,10-12H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298738
(CHEMBL583783 | benzyl(2S,5S,8S,11S,14S)-8-(3-amino...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H48N6O10/c1-18(2)12-21(14-38)33-28(43)23(13-19(3)4)35-27(42)22(10-11-26(32)41)34-29(44)24(15-39)36-30(45)25(16-40)37-31(46)47-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,39-40H,10-13,15-17H2,1-4H3,(H2,32,41)(H,33,43)(H,34,44)(H,35,42)(H,36,45)(H,37,46)/t21-,22-,23-,24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298761
(CHEMBL574788 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9/c1-4-10-23(27(41)33-22(16-38)15-20(2)3)34-28(42)24(13-8-9-14-32)35-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-11-6-5-7-12-21/h5-7,11-12,16,20,22-26,39-40H,4,8-10,13-15,17-19,32H2,1-3H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242087
(CHEMBL4078183)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N6O2/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242125
(CHEMBL4077090)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(C)c2)c1 Show InChI InChI=1S/C24H26N6O2/c1-4-11-29-22-20(23(31)30(12-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)13-7-10-18-9-6-8-17(3)14-18/h6,8-9,14-16H,4-5,11-13H2,1-3H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242058
(CHEMBL4070936)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1 Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242085
(CHEMBL4080646)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C24H23F3N6O3/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)36-24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298757
((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C33H57BN6O10/c1-21(2)16-24(29(43)38-28(34(48)49)17-22(3)4)36-30(44)26(14-10-11-15-35)39(5)32(46)25(18-41)37-31(45)27(19-42)40(6)33(47)50-20-23-12-8-7-9-13-23/h7-9,12-13,21-22,24-28,41-42,48-49H,10-11,14-20,35H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)/t24-,25-,26-,27-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242099
(CHEMBL4086077)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H23FN6O2/c1-3-11-29-21-19(22(31)30(12-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)13-5-6-16-7-9-18(24)10-8-16/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242075
(CHEMBL4103585)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC)c2)c1 Show InChI InChI=1S/C24H26N6O3/c1-4-11-29-22-20(23(31)30(12-5-2)24(29)32)26-21(27-22)18-15-25-28(16-18)13-7-9-17-8-6-10-19(14-17)33-3/h6,8,10,14-16H,4-5,11-13H2,1-3H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242082
(CHEMBL4066128)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(C)cc2)c1 Show InChI InChI=1S/C24H26N6O2/c1-4-12-29-22-20(23(31)30(13-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)14-6-7-18-10-8-17(3)9-11-18/h8-11,15-16H,4-5,12-14H2,1-3H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298762
(CHEMBL574924 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H52N6O9/c1-20(2)14-23(16-39)34-29(43)25(15-21(3)4)36-28(42)24(12-8-9-13-33)35-30(44)26(17-40)37-31(45)27(18-41)38-32(46)47-19-22-10-6-5-7-11-22/h5-7,10-11,16,20-21,23-27,40-41H,8-9,12-15,17-19,33H2,1-4H3,(H,34,43)(H,35,44)(H,36,42)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242100
(CHEMBL4103997)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1 Show InChI InChI=1S/C23H23FN6O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)12-6-8-16-7-5-9-18(24)13-16/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242064
(CHEMBL4096746)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C22H21FN6O2/c1-3-11-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)12-5-6-15-7-9-17(23)10-8-15/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242072
(CHEMBL4059836)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1 Show InChI InChI=1S/C22H21FN6O2/c1-3-10-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)11-6-8-15-7-5-9-17(23)12-15/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298739
(CHEMBL583784 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H49N5O9S/c1-19(2)13-22(15-37)32-28(41)24(14-20(3)4)34-27(40)23(11-12-46-5)33-29(42)25(16-38)35-30(43)26(17-39)36-31(44)45-18-21-9-7-6-8-10-21/h6-10,15,19-20,22-26,38-39H,11-14,16-18H2,1-5H3,(H,32,41)(H,33,42)(H,34,40)(H,35,43)(H,36,44)/t22-,23-,24-,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242073
(CHEMBL4069730)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(=O)OCC)c1 Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)19-16-27-30(17-19)15-9-11-18-10-7-8-12-20(18)25(34)36-6-3/h7-8,10,12,16-17H,4-6,13-15H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242057
(CHEMBL4067401)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C23H21F3N6O3/c1-3-10-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)11-6-8-15-7-5-9-17(12-15)35-23(24,25)26/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in... |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298740
(CHEMBL574324 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H47N5O10/c1-18(2)12-21(14-37)31-27(41)23(13-19(3)4)33-26(40)22(10-11-36)32-28(42)24(15-38)34-29(43)25(16-39)35-30(44)45-17-20-8-6-5-7-9-20/h5-9,14,18-19,21-25,36,38-39H,10-13,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,35,44)/t21-,22-,23-,24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242059
(CHEMBL4076435)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C24H23F3N6O3/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)36-24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in... |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242062
(CHEMBL4094840)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C23H21F3N6O3/c1-3-11-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)12-5-6-15-7-9-17(10-8-15)35-23(24,25)26/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298714
(CHEMBL574925 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O9/c1-23(2)17-26(19-42)37-32(46)28(18-24-11-5-3-6-12-24)39-31(45)27(15-9-10-16-36)38-33(47)29(20-43)40-34(48)30(21-44)41-35(49)50-22-25-13-7-4-8-14-25/h3-8,11-14,19,23,26-30,43-44H,9-10,15-18,20-22,36H2,1-2H3,(H,37,46)(H,38,47)(H,39,45)(H,40,48)(H,41,49)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242074
(CHEMBL4101147)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(=O)OC)c1 Show InChI InChI=1S/C25H26N6O4/c1-4-12-30-22-20(23(32)31(13-5-2)25(30)34)27-21(28-22)18-15-26-29(16-18)14-8-10-17-9-6-7-11-19(17)24(33)35-3/h6-7,9,11,15-16H,4-5,12-14H2,1-3H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242080
(CHEMBL4063759)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H33F3N8O2/c1-3-10-39-26-24(27(41)40(11-4-2)28(39)42)34-25(35-26)21-19-33-38(20-21)13-6-5-12-36-14-16-37(17-15-36)23-9-7-8-22(18-23)29(30,31)32/h7-9,18-20H,3-4,10-17H2,1-2H3,(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242063
(CHEMBL4069518)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C23H21F3N6O2/c1-3-11-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)12-5-6-15-7-9-17(10-8-15)23(24,25)26/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298715
(CHEMBL575847 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C31H50N6O10S/c1-20(2)15-22(16-38)33-27(41)24(12-14-48(3)46)35-28(42)23(11-7-8-13-32)34-29(43)25(17-39)36-30(44)26(18-40)37-31(45)47-19-21-9-5-4-6-10-21/h4-6,9-10,16,20,22-26,39-40H,7-8,11-15,17-19,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-,48?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242057
(CHEMBL4067401)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C23H21F3N6O3/c1-3-10-32-21(33)18-20(31(4-2)22(32)34)29-19(28-18)16-13-27-30(14-16)11-6-8-15-7-5-9-17(12-15)35-23(24,25)26/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298716
(CHEMBL574792 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O10/c1-22(2)16-25(18-42)37-32(47)28(17-23-11-13-26(45)14-12-23)39-31(46)27(10-6-7-15-36)38-33(48)29(19-43)40-34(49)30(20-44)41-35(50)51-21-24-8-4-3-5-9-24/h3-5,8-9,11-14,18,22,25,27-30,43-45H,6-7,10,15-17,19-21,36H2,1-2H3,(H,37,47)(H,38,48)(H,39,46)(H,40,49)(H,41,50)/t25-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298741
(CHEMBL574931 | benzyl(2S,5S,8S,11S,14S)-7-cyclohex...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C1CCCCC1)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H55N5O9/c1-22(2)16-26(18-41)36-32(45)28(17-23(3)4)37-31(44)24(5)40(27-14-10-7-11-15-27)34(47)30(20-43)38-33(46)29(19-42)39-35(48)49-21-25-12-8-6-9-13-25/h6,8-9,12-13,18,22-24,26-30,42-43H,7,10-11,14-17,19-21H2,1-5H3,(H,36,45)(H,37,44)(H,38,46)(H,39,48)/t24-,26-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298717
(CHEMBL574845 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C31H50N6O9S/c1-20(2)15-22(16-38)33-27(41)24(12-14-47-3)35-28(42)23(11-7-8-13-32)34-29(43)25(17-39)36-30(44)26(18-40)37-31(45)46-19-21-9-5-4-6-10-21/h4-6,9-10,16,20,22-26,39-40H,7-8,11-15,17-19,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,45)/t22-,23-,24-,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242083
(CHEMBL4092863)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C#N)c1 Show InChI InChI=1S/C24H23N7O2/c1-3-11-30-22-20(23(32)31(12-4-2)24(30)33)27-21(28-22)19-15-26-29(16-19)13-5-6-17-7-9-18(14-25)10-8-17/h7-10,15-16H,3-4,11-13H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242102
(CHEMBL4092291)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2ccc(F)cc2)no1 Show InChI InChI=1S/C23H22FN5O4/c1-3-11-28-21-19(22(30)29(12-4-2)23(28)31)25-20(26-21)17-14-18(27-33-17)32-13-5-6-15-7-9-16(24)10-8-15/h7-10,14H,3-4,11-13H2,1-2H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50242136
(CHEMBL4065780)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C24H24N6O4/c1-3-11-29-21-19(22(31)30(12-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)13-5-6-16-7-9-17(10-8-16)23(32)33/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27)(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
Eur J Med Chem 134: 218-229 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298742
(CHEMBL583785 | benzyl(2S,5S,8S,11S,14S)-8-(2-amino...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C30H46N6O10/c1-17(2)10-20(13-37)32-26(41)21(11-18(3)4)33-27(42)22(12-25(31)40)34-28(43)23(14-38)35-29(44)24(15-39)36-30(45)46-16-19-8-6-5-7-9-19/h5-9,13,17-18,20-24,38-39H,10-12,14-16H2,1-4H3,(H2,31,40)(H,32,41)(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t20-,21-,22-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298718
(CHEMBL574926 | benzyl(2S,5S,8S,11S,14S)-11-((1H-im...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C32H48N8O9/c1-20(2)14-22(16-41)36-29(45)24(15-27-34-12-13-35-27)38-28(44)23(10-6-7-11-33)37-30(46)25(17-42)39-31(47)26(18-43)40-32(48)49-19-21-8-4-3-5-9-21/h3-5,8-9,12-13,16,20,22-26,42-43H,6-7,10-11,14-15,17-19,33H2,1-2H3,(H,34,35)(H,36,45)(H,37,46)(H,38,44)(H,39,47)(H,40,48)/t22-,23-,24-,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298743
(CHEMBL573527 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H45N5O10/c1-17(2)10-20(12-35)30-25(39)21(11-18(3)4)31-26(40)22(13-36)32-27(41)23(14-37)33-28(42)24(15-38)34-29(43)44-16-19-8-6-5-7-9-19/h5-9,12,17-18,20-24,36-38H,10-11,13-16H2,1-4H3,(H,30,39)(H,31,40)(H,32,41)(H,33,42)(H,34,43)/t20-,21-,22-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
Prostate-specific antigen
(Homo sapiens (Human)) | BDBM50298755
((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N(C)C(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)26(18-41)39(5)31(45)25(17-40)37-32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,46)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay |
Bioorg Med Chem 17: 4888-93 (2009)
Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49 |
More data for this
Ligand-Target Pair | |
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