Found 31 hits of Enzyme Inhibition Constant Data 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 |
|---|
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM21599
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1 Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385619
(CHEMBL2042237)Show SMILES Cc1onc(c1CN1C(=O)NC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1 Show InChI InChI=1S/C23H17ClN4O6/c1-12-15(19(26-34-12)13-5-3-2-4-6-13)10-28-21(32)23(25-22(28)33)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9H,10-11H2,1H3,(H,25,33)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM21611
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385620
(CHEMBL2042238)Show SMILES OC(=O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385626
(CHEMBL2042378)Show SMILES CN1C(=O)N(Cc2csc(n2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C23H17ClN4O5S/c1-26-22(33)28(10-15-12-34-19(25-15)13-5-3-2-4-6-13)21(32)23(26)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9,12H,10-11H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385618
(CHEMBL2042236)Show SMILES OC(=O)CN1C(=O)C2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385624
(CHEMBL2042243)Show SMILES CN1C(=O)N(Cc2cn(nc2-c2ccccc2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C29H22ClN5O5/c1-32-28(40)34(27(39)29(32)22-14-20(30)12-13-23(22)33(26(29)38)17-24(36)37)15-19-16-35(21-10-6-3-7-11-21)31-25(19)18-8-4-2-5-9-18/h2-14,16H,15,17H2,1H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385622
(CHEMBL2042241)Show SMILES CCCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C22H18Cl2FN3O5/c1-2-7-28-21(33)27(10-12-8-13(23)3-5-16(12)25)20(32)22(28)15-9-14(24)4-6-17(15)26(19(22)31)11-18(29)30/h3-6,8-9H,2,7,10-11H2,1H3,(H,29,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385625
(CHEMBL2042244)Show SMILES CN1C(=O)N(Cc2c(C)onc2-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C24H19ClN4O6/c1-13-16(20(26-35-13)14-6-4-3-5-7-14)11-29-22(33)24(27(2)23(29)34)17-10-15(25)8-9-18(17)28(21(24)32)12-19(30)31/h3-10H,11-12H2,1-2H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385621
(CHEMBL2042240)Show SMILES CCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C21H16Cl2FN3O5/c1-2-27-20(32)26(9-11-7-12(22)3-5-15(11)24)19(31)21(27)14-8-13(23)4-6-16(14)25(18(21)30)10-17(28)29/h3-8H,2,9-10H2,1H3,(H,28,29)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385628
(CHEMBL2042380)Show SMILES COc1c(C)cnc(CN2C(=O)N(C)C3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)c1C Show InChI InChI=1S/C22H21ClN4O6/c1-11-8-24-15(12(2)18(11)33-4)9-27-20(31)22(25(3)21(27)32)14-7-13(23)5-6-16(14)26(19(22)30)10-17(28)29/h5-8H,9-10H2,1-4H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385617
(CHEMBL2042235)Show SMILES OC(=O)CN1C(=O)C2(NC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C19H13ClFN3O5/c20-11-5-6-14-12(7-11)19(16(27)23(14)9-15(25)26)17(28)24(18(29)22-19)8-10-3-1-2-4-13(10)21/h1-7H,8-9H2,(H,22,29)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385629
(CHEMBL2042381)Show SMILES CN1C(=O)N(Cc2cc(F)ccc2F)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C20H14ClF2N3O5/c1-24-19(31)26(8-10-6-12(22)3-4-14(10)23)18(30)20(24)13-7-11(21)2-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385623
(CHEMBL2042242)Show SMILES CC(C)c1nc(CN2C(=O)N(C)C3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1 Show InChI InChI=1S/C20H19ClN4O5S/c1-10(2)16-22-12(9-31-16)7-25-18(29)20(23(3)19(25)30)13-6-11(21)4-5-14(13)24(17(20)28)8-15(26)27/h4-6,9-10H,7-8H2,1-3H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385627
(CHEMBL2042379)Show SMILES CN1C(=O)N(Cc2nc3ccccc3s2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H15ClN4O5S/c1-24-20(31)26(9-16-23-13-4-2-3-5-15(13)32-16)19(30)21(24)12-8-11(22)6-7-14(12)25(18(21)29)10-17(27)28/h2-8H,9-10H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM21600
(2-{5-chloro-1'-[(5-methyl-3-phenyl-1,2-oxazol-4-yl...)Show SMILES Cc1onc(c1CN1CCC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1 Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(21(26-33-14)15-5-3-2-4-6-15)12-27-10-9-24(22(27)31)18-11-16(25)7-8-19(18)28(23(24)32)13-20(29)30/h2-8,11H,9-10,12-13H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20E+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 [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385620
(CHEMBL2042238)Show SMILES OC(=O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil chemotaxis |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil chemotaxis |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM21611
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil chemotaxis |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385620
(CHEMBL2042238)Show SMILES OC(=O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change pretreated for 20 mins meas... |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change pretreated for 20 mins meas... |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM21611
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change pretreated for 20 mins meas... |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50385626
(CHEMBL2042378)Show SMILES CN1C(=O)N(Cc2csc(n2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C23H17ClN4O5S/c1-26-22(33)28(10-15-12-34-19(25-15)13-5-3-2-4-6-13)21(32)23(26)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9,12H,10-11H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change pretreated for 20 mins meas... |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50385616
(CHEMBL2042239)Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 2: 644-649 (2011)
Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5 |
More data for this
Ligand-Target Pair | |
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