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Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Found 16 hits affinity hit(s) for enzyme = Prostaglandin D Synthase with UniProtKB: O60760
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
Prostaglandin D Synthase


Homo sapiens (human)
Pyrazolylthiazole, 13
JPEG
(2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
n/an/a21.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

3D
Prostaglandin D Synthase


Homo sapiens (human)
Phenylisothiazole-5-carboxamide, 15
JPEG
(N-[4-methyl-3-({3-[(4-methylpiperazin-1-yl)methyl]...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a75.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Thiazolylamino, 12
JPEG
(4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
n/an/a138.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

3D
Prostaglandin D Synthase


Homo sapiens (human)
Pyrazolylisoxazole, 14
JPEG
(3-phenyl-5-(1H-pyrazol-3-yl)-1,2-oxazole | 3-pheny...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
n/an/a920.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

3D
Prostaglandin D Synthase


Homo sapiens (human)
Thiazole, 4
JPEG
(4-{[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino}ben...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a994.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Pyridine-3-carboxylate
JPEG
(methyl 6-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyr...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a1500.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Indeno[1,2-c]pyridazin-5-one
JPEG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a3800.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Indeno[1,2-c]pyridazin-5-one, 6
JPEG
(3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-on...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a3800.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Tranilast
JPEG
(2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benz...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
n/an/a11600.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

3D
Prostaglandin D Synthase


Homo sapiens (human)
Methoxynaphthalen-1-yl, 8
JPEG
(2-bromo-1-(4-methoxynaphthalen-1-yl)ethan-1-one | ...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a12400.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Phenol, 11
JPEG
(2,4-dichloro-6-(1H-pyrazol-5-yl)phenol)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a17400.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Pyrazole, 9
JPEG
(3-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a26400.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Pyrazol-5-amine, 5
JPEG
(4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-5-amin...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a33000.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Pyridine, 10
JPEG
(2-methyl-5-(1H-pyrazol-5-yl)pyridine)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a34700.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Phenylpyridazine-3-carboxylate, 7
JPEG
(ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a45000.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

Prostaglandin D Synthase


Homo sapiens (human)
Pyrazole, 1
JPEG
(1-phenyl-1H-pyrazole-4-carboxylic acid)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
n/an/a890000.0n/an/a7.222


AstraZeneca



J Med Chem. 51: 2178-86 (2008)

3D
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  • Change energy unit to:  kcal/mole