Found 225 hits with Last Name = 'alford' and Initial = 'v' 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 |
|---|
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091753
(CHEMBL405854 | H-Ser-Leu-Arg-Arg-Ser-Ser-cyclic(Cy...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89+,90+,99-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394718
(CHEMBL2165801)Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091751
(CHEMBL411542 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C70H114N24O22S2/c1-8-35(5)55-66(113)83-28-50(98)84-37(7)57(104)88-42(19-20-48(72)96)62(109)92-46(31-95)61(108)82-29-52(100)86-43(23-34(3)4)59(106)81-30-53(101)87-47(68(115)116)33-118-117-32-39(71)58(105)90-44(24-38-15-11-10-12-16-38)60(107)80-26-49(97)79-27-51(99)85-40(17-13-21-77-69(73)74)63(110)94-56(36(6)9-2)67(114)91-45(25-54(102)103)65(112)89-41(64(111)93-55)18-14-22-78-70(75)76/h10-12,15-16,34-37,39-47,55-56,95H,8-9,13-14,17-33,71H2,1-7H3,(H2,72,96)(H,79,97)(H,80,107)(H,81,106)(H,82,108)(H,83,113)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,112)(H,90,105)(H,91,114)(H,92,109)(H,93,111)(H,94,110)(H,102,103)(H,115,116)(H4,73,74,77)(H4,75,76,78)/t35-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,55-,56-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 1
(Homo sapiens (Human)) | BDBM50091751
(CHEMBL411542 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C70H114N24O22S2/c1-8-35(5)55-66(113)83-28-50(98)84-37(7)57(104)88-42(19-20-48(72)96)62(109)92-46(31-95)61(108)82-29-52(100)86-43(23-34(3)4)59(106)81-30-53(101)87-47(68(115)116)33-118-117-32-39(71)58(105)90-44(24-38-15-11-10-12-16-38)60(107)80-26-49(97)79-27-51(99)85-40(17-13-21-77-69(73)74)63(110)94-56(36(6)9-2)67(114)91-45(25-54(102)103)65(112)89-41(64(111)93-55)18-14-22-78-70(75)76/h10-12,15-16,34-37,39-47,55-56,95H,8-9,13-14,17-33,71H2,1-7H3,(H2,72,96)(H,79,97)(H,80,107)(H,81,106)(H,82,108)(H,83,113)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,112)(H,90,105)(H,91,114)(H,92,109)(H,93,111)(H,94,110)(H,102,103)(H,115,116)(H4,73,74,77)(H4,75,76,78)/t35-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,55-,56-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091758
((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...)Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 1
(Homo sapiens (Human)) | BDBM50091758
((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...)Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394722
(CHEMBL2165807)Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 1
(Homo sapiens (Human)) | BDBM50091752
((S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphth...)Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-40(58)33(13-10-20-46-43(44)45)50-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,56)(H,48,59)(H,49,57)(H,50,53)(H,51,60)(H,52,58)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091752
((S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphth...)Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-40(58)33(13-10-20-46-43(44)45)50-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,56)(H,48,59)(H,49,57)(H,50,53)(H,51,60)(H,52,58)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091761
((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...)Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091757
(CHEMBL264744 | Cyclic-(Cys-Phe-Gly-Gly-Ala-Ile-Asp...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C67H107N21O22S2/c1-9-33(5)53-64(107)77-26-49(93)78-35(7)55(98)82-40(18-19-46(69)90)61(104)86-44(29-89)60(103)76-27-50(94)80-41(21-32(3)4)58(101)75-28-51(95)81-45(66(109)110)31-112-111-30-38(68)57(100)84-42(22-37-15-12-11-13-16-37)59(102)74-24-47(91)73-25-48(92)79-36(8)56(99)87-54(34(6)10-2)65(108)85-43(23-52(96)97)63(106)83-39(62(105)88-53)17-14-20-72-67(70)71/h11-13,15-16,32-36,38-45,53-54,89H,9-10,14,17-31,68H2,1-8H3,(H2,69,90)(H,73,91)(H,74,102)(H,75,101)(H,76,103)(H,77,107)(H,78,93)(H,79,92)(H,80,94)(H,81,95)(H,82,98)(H,83,106)(H,84,100)(H,85,108)(H,86,104)(H,87,99)(H,88,105)(H,96,97)(H,109,110)(H4,70,71,72)/t33-,34-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 1
(Homo sapiens (Human)) | BDBM50091757
(CHEMBL264744 | Cyclic-(Cys-Phe-Gly-Gly-Ala-Ile-Asp...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C67H107N21O22S2/c1-9-33(5)53-64(107)77-26-49(93)78-35(7)55(98)82-40(18-19-46(69)90)61(104)86-44(29-89)60(103)76-27-50(94)80-41(21-32(3)4)58(101)75-28-51(95)81-45(66(109)110)31-112-111-30-38(68)57(100)84-42(22-37-15-12-11-13-16-37)59(102)74-24-47(91)73-25-48(92)79-36(8)56(99)87-54(34(6)10-2)65(108)85-43(23-52(96)97)63(106)83-39(62(105)88-53)17-14-20-72-67(70)71/h11-13,15-16,32-36,38-45,53-54,89H,9-10,14,17-31,68H2,1-8H3,(H2,69,90)(H,73,91)(H,74,102)(H,75,101)(H,76,103)(H,77,107)(H,78,93)(H,79,92)(H,80,94)(H,81,95)(H,82,98)(H,83,106)(H,84,100)(H,85,108)(H,86,104)(H,87,99)(H,88,105)(H,96,97)(H,109,110)(H4,70,71,72)/t33-,34-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394717
(CHEMBL2165802)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394718
(CHEMBL2165801)Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 1
(Homo sapiens (Human)) | BDBM50091753
(CHEMBL405854 | H-Ser-Leu-Arg-Arg-Ser-Ser-cyclic(Cy...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89+,90+,99-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394719
(CHEMBL2165800)Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316892
(2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H...)Show SMILES Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316893
(2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H...)Show SMILES Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(15-6-2-1-3-7-15)20-22(29-24)19-14-17(9-10-18(19)23(20)30)27-13-11-16-8-4-5-12-26-16/h1-10,12,14,27H,11,13H2,(H2,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394720
(CHEMBL2165799)Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491094
(CHEMBL2377092)Show SMILES Nc1nc(nc2sc(Cc3ccccc3Cl)cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C20H13ClN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394721
(CHEMBL2165808)Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 3
(Homo sapiens (Human)) | BDBM50091754
(Arg-Ser-Ser-cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp-Ar...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC Show InChI InChI=1S/C64H106N24O20S2/c1-6-31(3)48-59(105)77-26-45(92)78-33(5)50(96)86-43(61(107)108)30-110-109-29-42(85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67)58(104)81-38(22-34-14-9-8-10-15-34)52(98)76-24-44(91)75-25-46(93)79-36(17-12-20-73-63(68)69)53(99)88-49(32(4)7-2)60(106)82-39(23-47(94)95)55(101)80-37(54(100)87-48)18-13-21-74-64(70)71/h8-10,14-15,31-33,35-43,48-49,89-90H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42+,43+,48-,49-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor. |
Bioorg Med Chem Lett 10: 1949-52 (2001)
BindingDB Entry DOI: 10.7270/Q2BK1BKQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394716
(CHEMBL2165803)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(F)(F)c1cccnc1 Show InChI InChI=1S/C23H14F2N4O/c24-23(25,15-7-4-10-27-12-15)14-8-9-16-17(11-14)20-18(21(16)30)19(28-22(26)29-20)13-5-2-1-3-6-13/h1-12H,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394715
(CHEMBL2165804)Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394717
(CHEMBL2165802)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27) | PDB
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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491101
(CHEMBL2377103)Show InChI InChI=1S/C17H13N5S/c18-15-13-9-12(8-11-4-2-1-3-5-11)23-17(13)22-16(21-15)14-10-19-6-7-20-14/h1-7,9-10H,8H2,(H2,18,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394722
(CHEMBL2165807)Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394719
(CHEMBL2165800)Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316899
(2-amino-8-(4-methylpiperazin-1-yl)-4-phenyl-5H-ind...)Show SMILES CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C22H21N5O/c1-26-9-11-27(12-10-26)15-7-8-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491105
(CHEMBL2377110)Show InChI InChI=1S/C18H14ClN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316898
(2-amino-8-morpholino-4-phenyl-5H-indeno[1,2-d]pyri...)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C21H18N4O2/c22-21-23-18(13-4-2-1-3-5-13)17-19(24-21)16-12-14(6-7-15(16)20(17)26)25-8-10-27-11-9-25/h1-7,12H,8-11H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316895
(2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4...)Show SMILES Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O3S/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-32(30,31)13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394723
(CHEMBL2165806)Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491075
(CHEMBL2377111)Show InChI InChI=1S/C18H14FN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330987
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316894
(2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-ind...)Show SMILES Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491100
(CHEMBL2377228)Show InChI InChI=1S/C16H12N4OS/c17-13-12-9-11(8-10-4-2-1-3-5-10)22-16(12)20-14(19-13)15-18-6-7-21-15/h1-7,9H,8H2,(H2,17,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316891
(2-amino-8-((2-(dimethylamino)ethyl)(methyl)amino)-...)Show SMILES CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C22H23N5O/c1-26(2)11-12-27(3)15-9-10-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316897
(2-amino-8-((1-ethylpiperidin-4-yl)(methyl)amino)-4...)Show SMILES CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C25H27N5O/c1-3-30-13-11-17(12-14-30)29(2)18-9-10-19-20(15-18)23-21(24(19)31)22(27-25(26)28-23)16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394721
(CHEMBL2165808)Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394720
(CHEMBL2165799)Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491113
(CHEMBL2377091)Show SMILES COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H16N4OS/c1-26-18-8-3-2-6-14(18)10-16-11-17-19(23)24-20(25-21(17)27-16)15-7-4-5-13(9-15)12-22/h2-9,11H,10H2,1H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316887
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316887
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491099
(CHEMBL2377232)Show InChI InChI=1S/C17H13ClN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491098
(CHEMBL2377093)Show InChI InChI=1S/C20H13FN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316870
(2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4...)Show SMILES CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316883
(2-amino-8-(2-(diethylamino)ethoxy)-4-phenyl-5H-ind...)Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316876
(2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl...)Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316876
(2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl...)Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this
Ligand-Target Pair | |
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