Found 137 hits with Last Name = 'bradshaw' and Initial = 'cg' 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 |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469874
(CHEMBL59780)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384475
(CHEMBL2036225)Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)Cc2ccccc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C23H20FN5O3S/c1-33(31,32)21-9-7-17(8-10-21)15-29(22(30)11-16-5-3-2-4-6-16)20-13-18(12-19(24)14-20)23-25-27-28-26-23/h2-10,12-14H,11,15H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469872
(CHEMBL413650)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C56H65N13O11/c1-3-4-20-40(49(58)70)61-54(75)45-22-13-26-67(45)56(77)46-23-14-27-68(46)55(76)43(28-33-15-7-5-8-16-33)64-53(74)41(29-35-31-59-39-21-12-11-19-36(35)39)62-50(71)32(2)60-52(73)42(63-51(72)34-17-9-6-10-18-34)30-38(57)37-24-25-44(69(78)79)48-47(37)65-80-66-48/h5-12,15-19,21,24-25,31-32,38,40-43,45-46,59H,3-4,13-14,20,22-23,26-30,57H2,1-2H3,(H2,58,70)(H,60,73)(H,61,75)(H,62,71)(H,63,72)(H,64,74)/t32-,38?,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469869
(CHEMBL217548)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C57H67N13O11/c1-3-4-20-41(50(59)71)62-55(76)46-22-13-28-68(46)57(78)47-23-14-29-69(47)56(77)44(30-34-15-7-5-8-16-34)65-54(75)43(31-36-32-60-40-21-12-11-19-37(36)40)64-51(72)33(2)61-53(74)42(63-52(73)35-17-9-6-10-18-35)26-25-39(58)38-24-27-45(70(79)80)49-48(38)66-81-67-49/h5-12,15-19,21,24,27,32-33,39,41-44,46-47,60H,3-4,13-14,20,22-23,25-26,28-31,58H2,1-2H3,(H2,59,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t33-,39?,41-,42-,43-,44-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469867
(CHEMBL268783)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C58H69N13O11/c1-3-4-22-42(51(60)72)63-56(77)47-25-14-29-69(47)58(79)48-26-15-30-70(48)57(78)45(31-35-16-7-5-8-17-35)66-55(76)44(32-37-33-61-41-23-12-11-20-38(37)41)65-52(73)34(2)62-54(75)43(64-53(74)36-18-9-6-10-19-36)24-13-21-40(59)39-27-28-46(71(80)81)50-49(39)67-82-68-50/h5-12,16-20,23,27-28,33-34,40,42-45,47-48,61H,3-4,13-15,21-22,24-26,29-32,59H2,1-2H3,(H2,60,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t34-,40?,42-,43-,44-,45-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384482
(CHEMBL2036207)Show SMILES CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C21H22FN5O3/c1-2-3-4-20(28)27(13-14-5-6-18-19(9-14)30-8-7-29-18)17-11-15(10-16(22)12-17)21-23-25-26-24-21/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384515
(CHEMBL2036224)Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)c2ccccc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C22H18FN5O3S/c1-32(30,31)20-9-7-15(8-10-20)14-28(22(29)16-5-3-2-4-6-16)19-12-17(11-18(23)13-19)21-24-26-27-25-21/h2-13H,14H2,1H3,(H,24,25,26,27) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384465
(CHEMBL2036211)Show SMILES CCCCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H19F4N5O/c1-2-3-4-18(30)29(12-13-5-7-15(8-6-13)20(22,23)24)17-10-14(9-16(21)11-17)19-25-27-28-26-19/h5-11H,2-4,12H2,1H3,(H,25,26,27,28) | 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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384516
(CHEMBL2036226)Show SMILES Cc1ccc(CCC(=O)N(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C25H24FN5O3S/c1-17-3-5-18(6-4-17)9-12-24(32)31(16-19-7-10-23(11-8-19)35(2,33)34)22-14-20(13-21(26)15-22)25-27-29-30-28-25/h3-8,10-11,13-15H,9,12,16H2,1-2H3,(H,27,28,29,30) | 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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384497
(CHEMBL2036028)Show SMILES CCCCC(=O)N(Cc1ccc(OC)cc1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O2/c1-3-4-5-19(27)26(13-14-6-8-18(28-2)9-7-14)17-11-15(10-16(21)12-17)20-22-24-25-23-20/h6-12H,3-5,13H2,1-2H3,(H,22,23,24,25) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384495
(CHEMBL2036025)Show SMILES CCCCC(=O)N(Cc1cccc(OC)c1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O2/c1-3-4-8-19(27)26(13-14-6-5-7-18(9-14)28-2)17-11-15(10-16(21)12-17)20-22-24-25-23-20/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,22,23,24,25) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384472
(CHEMBL2036220)Show SMILES CCC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H18FN5O3S/c1-3-17(25)24(11-12-4-6-16(7-5-12)28(2,26)27)15-9-13(8-14(19)10-15)18-20-22-23-21-18/h4-10H,3,11H2,1-2H3,(H,20,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384473
(CHEMBL2036222)Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384487
(CHEMBL2036016)Show SMILES CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C21H22FN5O3/c1-2-3-4-20(28)27(13-14-5-8-18-19(11-14)30-10-9-29-18)17-12-15(6-7-16(17)22)21-23-25-26-24-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384484
(CHEMBL2036029)Show SMILES CCCCC(=O)N(Cc1ccc(OC)cc1)c1cc(Cl)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22ClN5O2/c1-3-4-5-19(27)26(13-14-6-8-18(28-2)9-7-14)17-11-15(10-16(21)12-17)20-22-24-25-23-20/h6-12H,3-5,13H2,1-2H3,(H,22,23,24,25) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384478
(CHEMBL2036228)Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)c2cccnc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H17FN6O3S/c1-32(30,31)19-6-4-14(5-7-19)13-28(21(29)15-3-2-8-23-12-15)18-10-16(9-17(22)11-18)20-24-26-27-25-20/h2-12H,13H2,1H3,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384466
(CHEMBL2036212)Show SMILES CCCCC(=O)N(Cc1cccc(OC(F)(F)F)c1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H19F4N5O2/c1-2-3-7-18(30)29(12-13-5-4-6-17(8-13)31-20(22,23)24)16-10-14(9-15(21)11-16)19-25-27-28-26-19/h4-6,8-11H,2-3,7,12H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384508
(CHEMBL2036206)Show SMILES CCCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C20H20FN5O3/c1-2-3-19(27)26(12-13-4-7-17-18(10-13)29-9-8-28-17)16-11-14(5-6-15(16)21)20-22-24-25-23-20/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384511
(CHEMBL2036216)Show SMILES CCC(=O)N(Cc1ccc(cc1)S(=O)(=O)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H15F4N5O3S/c1-2-16(28)27(14-8-12(7-13(19)9-14)17-23-25-26-24-17)10-11-3-5-15(6-4-11)31(29,30)18(20,21)22/h3-9H,2,10H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
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UniChem
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PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384474
(CHEMBL2036223)Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H22FN5O3S/c1-31(29,30)19-8-6-14(7-9-19)13-27(21(28)15-4-2-3-5-15)18-11-16(10-17(22)12-18)20-23-25-26-24-20/h6-12,15H,2-5,13H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
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UniChem
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PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384507
(CHEMBL2036205)Show SMILES CC(C)CC(=O)N(Cc1ccc2OCCOc2c1)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C21H22FN5O3/c1-13(2)9-20(28)27(12-14-3-6-18-19(10-14)30-8-7-29-18)17-11-15(4-5-16(17)22)21-23-25-26-24-21/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,23,24,25,26) | PDB
Reactome pathway
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UniChem
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PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384464
(CHEMBL2036210)Show SMILES CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H15F4N5O/c1-2-16(28)27(10-11-3-5-13(6-4-11)18(20,21)22)15-8-12(7-14(19)9-15)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384470
(CHEMBL2036030)Show SMILES CCC(=O)N(Cc1cccc(OC(C)C)c1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O2/c1-4-19(27)26(12-14-6-5-7-18(8-14)28-13(2)3)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h5-11,13H,4,12H2,1-3H3,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469870
(CHEMBL275499)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+]([O-])=O)c2nonc12)C(N)=O Show InChI InChI=1S/C55H63N13O11/c1-3-4-20-38(48(57)69)60-52(73)42-22-13-26-66(42)55(76)43-23-14-27-67(43)54(75)40(28-32-15-7-5-8-16-32)62-51(72)39(29-34-30-58-37-21-12-11-19-35(34)37)61-49(70)31(2)59-53(74)47(63-50(71)33-17-9-6-10-18-33)44(56)36-24-25-41(68(77)78)46-45(36)64-79-65-46/h5-12,15-19,21,24-25,30-31,38-40,42-44,47,58H,3-4,13-14,20,22-23,26-29,56H2,1-2H3,(H2,57,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,71)/t31-,38-,39-,40-,42-,43-,44?,47-/m0/s1 | PDB
Reactome pathway
KEGG
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| PC cid
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| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384467
(CHEMBL2036213)Show SMILES CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H15F4N5O2/c1-2-16(28)27(10-11-3-5-15(6-4-11)29-18(20,21)22)14-8-12(7-13(19)9-14)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384471
(CHEMBL2036203)Show SMILES CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C21H23N5O3/c1-2-3-7-20(27)26(14-15-8-9-18-19(12-15)29-11-10-28-18)17-6-4-5-16(13-17)21-22-24-25-23-21/h4-6,8-9,12-13H,2-3,7,10-11,14H2,1H3,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384502
(CHEMBL2036036)Show SMILES CCCCC(=O)N(Cc1cc2ccccc2o1)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C21H20FN5O2/c1-2-3-8-20(28)27(13-16-11-14-6-4-5-7-19(14)29-16)18-12-15(9-10-17(18)22)21-23-25-26-24-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384496
(CHEMBL2036027)Show SMILES CCC(=O)N(Cc1ccc(OC)cc1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H18FN5O2/c1-3-17(25)24(11-12-4-6-16(26-2)7-5-12)15-9-13(8-14(19)10-15)18-20-22-23-21-18/h4-10H,3,11H2,1-2H3,(H,20,21,22,23) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384468
(CHEMBL2036214)Show SMILES CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H19F4N5O2/c1-2-3-4-18(30)29(12-13-5-7-17(8-6-13)31-20(22,23)24)16-10-14(9-15(21)11-16)19-25-27-28-26-19/h5-11H,2-4,12H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384483
(CHEMBL2036026)Show SMILES CCC(=O)N(Cc1cccc(OC)c1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H18FN5O2/c1-3-17(25)24(11-12-5-4-6-16(7-12)26-2)15-9-13(8-14(19)10-15)18-20-22-23-21-18/h4-10H,3,11H2,1-2H3,(H,20,21,22,23) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384486
(CHEMBL2036015)Show SMILES CCCCC(=O)N(Cc1cccc(c1)C#C)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C21H20FN5O/c1-3-5-9-20(28)27(14-16-8-6-7-15(4-2)12-16)19-13-17(10-11-18(19)22)21-23-25-26-24-21/h2,6-8,10-13H,3,5,9,14H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
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PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384506
(CHEMBL2036204)Show SMILES CCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C19H18FN5O3/c1-2-18(26)25(11-12-3-6-16-17(9-12)28-8-7-27-16)15-10-13(4-5-14(15)20)19-21-23-24-22-19/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22,23,24) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384505
(CHEMBL2036202)Show SMILES CCCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H21N5O3/c1-2-4-19(26)25(13-14-7-8-17-18(11-14)28-10-9-27-17)16-6-3-5-15(12-16)20-21-23-24-22-20/h3,5-8,11-12H,2,4,9-10,13H2,1H3,(H,21,22,23,24) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384514
(CHEMBL2036221)Show SMILES CC(C)C(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C19H20FN5O3S/c1-12(2)19(26)25(11-13-4-6-17(7-5-13)29(3,27)28)16-9-14(8-15(20)10-16)18-21-23-24-22-18/h4-10,12H,11H2,1-3H3,(H,21,22,23,24) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384479
(CHEMBL2036229)Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)c2ccncc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H17FN6O3S/c1-32(30,31)19-4-2-14(3-5-19)13-28(21(29)15-6-8-23-9-7-15)18-11-16(10-17(22)12-18)20-24-26-27-25-20/h2-12H,13H2,1H3,(H,24,25,26,27) | PDB
Reactome pathway
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384517
(CHEMBL2036035)Show SMILES CCCCC(=O)N(Cc1ccc2ccccc2c1)c1cc(ccc1F)-c1nnn[nH]1 Show InChI InChI=1S/C23H22FN5O/c1-2-3-8-22(30)29(15-16-9-10-17-6-4-5-7-18(17)13-16)21-14-19(11-12-20(21)24)23-25-27-28-26-23/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384461
(CHEMBL2036215)Show SMILES CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H19ClF3N5O2/c1-2-3-4-18(30)29(12-13-5-7-17(8-6-13)31-20(22,23)24)16-10-14(9-15(21)11-16)19-25-27-28-26-19/h5-11H,2-4,12H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384512
(CHEMBL2036218)Show SMILES CCC(=O)N(Cc1ccc(O)cc1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C17H16FN5O2/c1-2-16(25)23(10-11-3-5-15(24)6-4-11)14-8-12(7-13(18)9-14)17-19-21-22-20-17/h3-9,24H,2,10H2,1H3,(H,19,20,21,22) | PDB
Reactome pathway
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469868
(CHEMBL413205)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)C(\S)=N\c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C73H79N11O13S/c1-3-4-22-55(63(75)87)79-68(92)59-25-14-33-83(59)71(94)60-26-15-34-84(60)70(93)58(35-42-16-7-5-8-17-42)82-67(91)57(36-44-40-76-54-23-12-11-20-48(44)54)81-64(88)41(2)77-66(90)56(80-65(89)43-18-9-6-10-19-43)24-13-21-53(74)69(98)78-45-27-30-50-49(37-45)72(95)97-73(50)51-31-28-46(85)38-61(51)96-62-39-47(86)29-32-52(62)73/h5-12,16-20,23,27-32,37-41,53,55-60,76,85-86H,3-4,13-15,21-22,24-26,33-36,74H2,1-2H3,(H2,75,87)(H,77,90)(H,78,98)(H,79,92)(H,80,89)(H,81,88)(H,82,91)/t41-,53?,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384476
(CHEMBL2036217)Show SMILES CCC(=O)N(Cc1cccc(O)c1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C17H16FN5O2/c1-2-16(25)23(10-11-4-3-5-15(24)6-11)14-8-12(7-13(18)9-14)17-19-21-22-20-17/h3-9,24H,2,10H2,1H3,(H,19,20,21,22) | PDB
Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384477
(CHEMBL2036227)Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)C2CCOCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H22FN5O4S/c1-32(29,30)19-4-2-14(3-5-19)13-27(21(28)15-6-8-31-9-7-15)18-11-16(10-17(22)12-18)20-23-25-26-24-20/h2-5,10-12,15H,6-9,13H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384488
(CHEMBL2036018)Show SMILES CCCCC(=O)N(Cc1ccc2ccccc2c1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C23H23N5O/c1-2-3-11-22(29)28(16-17-12-13-18-7-4-5-8-19(18)14-17)21-10-6-9-20(15-21)23-24-26-27-25-23/h4-10,12-15H,2-3,11,16H2,1H3,(H,24,25,26,27) | PDB
Reactome pathway
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384504
(CHEMBL2036201)Show SMILES CCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C19H19N5O3/c1-2-18(25)24(12-13-6-7-16-17(10-13)27-9-8-26-16)15-5-3-4-14(11-15)19-20-22-23-21-19/h3-7,10-11H,2,8-9,12H2,1H3,(H,20,21,22,23) | PDB
Reactome pathway
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384494
(CHEMBL2036024)Show SMILES CCCCC(=O)N(Cc1cccc(OC)c1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H23N5O2/c1-3-4-11-19(26)25(14-15-7-5-10-18(12-15)27-2)17-9-6-8-16(13-17)20-21-23-24-22-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,23,24) | PDB
Reactome pathway
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384509
(CHEMBL2036198)Show SMILES CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(-c2nnn[nH]2)c(F)cc1F Show InChI InChI=1S/C21H21F2N5O3/c1-2-3-4-20(29)28(12-13-5-6-18-19(9-13)31-8-7-30-18)17-10-14(15(22)11-16(17)23)21-24-26-27-25-21/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,24,25,26,27) | PDB
Reactome pathway
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384469
(CHEMBL2036017)Show SMILES CCCCC(=O)N(Cc1ccc(OC)cc1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H23N5O2/c1-3-4-8-19(26)25(14-15-9-11-18(27-2)12-10-15)17-7-5-6-16(13-17)20-21-23-24-22-20/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,21,22,23,24) | PDB
Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384503
(CHEMBL2036200)Show SMILES CCC(=O)N(Cc1ccc2ccccc2n1)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H17FN6O/c1-2-19(28)27(12-16-8-7-13-5-3-4-6-18(13)22-16)17-10-14(9-15(21)11-17)20-23-25-26-24-20/h3-11H,2,12H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384513
(CHEMBL2036219)Show SMILES CCC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H19N5O3S/c1-3-17(24)23(12-13-7-9-16(10-8-13)27(2,25)26)15-6-4-5-14(11-15)18-19-21-22-20-18/h4-11H,3,12H2,1-2H3,(H,19,20,21,22) | PDB
Reactome pathway
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| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469871
(CHEMBL386783)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc([N+]([O-])=O)c2nonc12)C(N)=O Show InChI InChI=1S/C48H58N12O10/c1-4-5-16-34(42(49)61)53-46(65)38-18-11-22-58(38)48(67)39-19-12-23-59(39)47(66)36(24-29-13-7-6-8-14-29)55-45(64)35(25-30-26-50-32-17-10-9-15-31(30)32)54-44(63)28(3)52-43(62)27(2)51-33-20-21-37(60(68)69)41-40(33)56-70-57-41/h6-10,13-15,17,20-21,26-28,34-36,38-39,50-51H,4-5,11-12,16,18-19,22-25H2,1-3H3,(H2,49,61)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t27-,28-,34-,35-,36-,38-,39-/m0/s1 | PDB
Reactome pathway
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50384463
(CHEMBL2036209)Show SMILES CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H16F3N5O/c1-2-16(27)26(11-12-6-8-14(9-7-12)18(19,20)21)15-5-3-4-13(10-15)17-22-24-25-23-17/h3-10H,2,11H2,1H3,(H,22,23,24,25) | PDB
Reactome pathway
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 938-942 (2011)
Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ |
More data for this
Ligand-Target Pair | |
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