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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'menhaji-klotz' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50095296
PNG
(CHEMBL3589082 | US9278953, 1)
Show SMILES CCn1ncc2c(F)cc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1S/C20H21Cl2N5O/c1-26-5-7-27(8-6-26)20-15-9-13(28-2)3-4-14(15)19(24-25-20)10-16-17(21)11-23-12-18(16)22/h3-4,9,11-12H,5-8,10H2,1-2H3
PDB

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US Patent
2 -49.7n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335698
PNG
((R)-3-(3-Methyl-2-oxopiperidin-3-yl)-6-(5-methylqu...)
Show SMILES Cc1cccc2ncc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O
PDB

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US Patent
3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50095295
PNG
(CHEMBL3589083 | US9278953, 2)
Show SMILES Cn1ncc2c(Cl)cc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1S/C15H11Cl2N3O/c1-21-10-2-3-11-9(4-10)6-19-20-15(11)5-12-13(16)7-18-8-14(12)17/h2-4,6-8H,5H2,1H3
PDB

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US Patent
3.60 -48.2n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
PDB

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Article
PubMed
4.60n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335700
PNG
((R)-6-(5-Ethylquinolin-7-yl)-3-(3-methyl-2-oxopipe...)
Show SMILES CCc1cc(cc2ncccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O
PDB

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US Patent
4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250387
PNG
(CHEMBL4102791)
UniProtKB/SwissProt

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Article
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250387
PNG
(CHEMBL4102791)
UniProtKB/SwissProt

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Article
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335699
PNG
((R)-3-(3-Methyl-2-oxopiperidin-3-yl)-6-(5-methylqu...)
Show SMILES Cc1cc(cc2ncccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O
PDB

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US Patent
7.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335702
PNG
((R)-6-(5-Cyclopropylquinolin-7-yl)-3-(3-methyl-2-o...)
Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(C2CC2)c2cccnc2c1
PDB

KEGG

UniProtKB/SwissProt

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US Patent
7.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50095294
PNG
(CHEMBL3589084 | US9278953, 7)
Show SMILES Cn1cnc2cc(cc(Cl)c12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1S/C17H16Cl2N4O/c1-23(2)17-12-6-10(24-3)4-5-11(12)16(21-22-17)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,7H2,1-3H3
PDB

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US Patent
7.80 -46.3n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250402
PNG
(CHEMBL4084835)
UniProtKB/SwissProt

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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250395
PNG
(CHEMBL4103373)
UniProtKB/SwissProt

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Article
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
UniProtKB/SwissProt

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Article
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250402
PNG
(CHEMBL4084835)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335701
PNG
((R)-6-(5-Chloroquinolin-7-yl)-3-(3-methyl-2-oxopip...)
Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(Cl)c2cccnc2c1
PDB

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US Patent
8.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250395
PNG
(CHEMBL4103373)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
UniProtKB/SwissProt

antibodypedia
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Article
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250375
PNG
(CHEMBL4077017)
UniProtKB/SwissProt

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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212596
PNG
(US9278953, 3)
Show SMILES CCn1ncc2c(C)cc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1/C21H24N4O2/c1-4-25-18-11-14(10-13(2)15(18)12-23-25)17-7-6-16(19(26)24-17)21(3)8-5-9-22-20(21)27/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,27)(H,24,26)/t21-/s2
PDB

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9.5 -45.8n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250375
PNG
(CHEMBL4077017)
UniProtKB/SwissProt

antibodypedia
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Article
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212598
PNG
(US9278953, 4)
Show SMILES Cn1ccc2ccc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1/C20H21N3O2/c1-20(9-3-10-21-19(20)25)15-6-7-16(22-18(15)24)14-5-4-13-8-11-23(2)17(13)12-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,25)(H,22,24)/t20-/s2
PDB

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US Patent
11.2 -45.4n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212605
PNG
(US9278953, 9)
Show SMILES Cn1ccc2cc(cc(F)c12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O |r|
Show InChI InChI=1/C19H18FN3O2/c1-19(6-7-21-18(19)25)13-3-4-15(22-17(13)24)12-9-11-5-8-23(2)16(11)14(20)10-12/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,24)/t19-/s2
PDB

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US Patent
11.9 -45.2n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344250
PNG
(CHEMBL1779003 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3
PDB

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PubMed
12n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212600
PNG
(US9278953, 5)
Show SMILES Cn1ccc2cc(ccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1/C20H21N3O2/c1-20(9-3-10-21-19(20)25)15-5-6-16(22-18(15)24)13-4-7-17-14(12-13)8-11-23(17)2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,25)(H,22,24)/t20-/s2
PDB

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12.2 -45.2n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50264278
PNG
(CHEMBL4064803)
KEGG

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<13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
UniProtKB/SwissProt

antibodypedia
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UniChem
Article
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212607
PNG
(US9278953, 11)
Show SMILES Cn1ncc2c(F)cc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1/C19H19FN4O2/c1-19(6-3-7-21-18(19)26)13-4-5-15(23-17(13)25)11-8-14(20)12-10-22-24(2)16(12)9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,26)(H,23,25)/t19-/s2
PDB

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13.9 -44.8n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212604
PNG
(US9278953, 8)
Show SMILES Cn1ncc2c(Cl)cc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O |r|
Show InChI InChI=1/C18H17ClN4O2/c1-18(5-6-20-17(18)25)12-3-4-14(22-16(12)24)10-7-13(19)11-9-21-23(2)15(11)8-10/h3-4,7-9H,5-6H2,1-2H3,(H,20,25)(H,22,24)/t18-/s2
PDB

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14.2 -44.8n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264280
PNG
(CHEMBL4084050)
UniProtKB/SwissProt

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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335704
PNG
((R)-3-(3-Methyl-2-oxopyrrolidin-3-yl)-6-(5-methylq...)
Show SMILES Cc1cccc2ncc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O
PDB

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18.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212606
PNG
(US9278953, 10)
Show SMILES CCn1ccc2ccc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O |r|
Show InChI InChI=1/C20H21N3O2/c1-3-23-11-8-13-4-5-14(12-17(13)23)16-7-6-15(18(24)22-16)20(2)9-10-21-19(20)25/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,25)(H,22,24)/t20-/s2
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19.9 -44.0n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250391
PNG
(CHEMBL4064492)
UniProtKB/SwissProt

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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250391
PNG
(CHEMBL4064492)
UniProtKB/SwissProt

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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250380
PNG
(CHEMBL4070766)
UniProtKB/SwissProt

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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250401
PNG
(CHEMBL4067701)
UniProtKB/SwissProt

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24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212608
PNG
(US9278953, 12)
Show SMILES Cc1cc(cc2n(C)ncc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O |r|
Show InChI InChI=1/C20H22N4O2/c1-12-9-13(10-17-14(12)11-22-24(17)3)16-6-5-15(18(25)23-16)20(2)7-4-8-21-19(20)26/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,26)(H,23,25)/t20-/s2
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25 -43.4n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250393
PNG
(CHEMBL4097577)
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250380
PNG
(CHEMBL4070766)
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250393
PNG
(CHEMBL4097577)
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250401
PNG
(CHEMBL4067701)
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344232
PNG
(1-cyclopropyl-N-((6-(4-fluoro-2-methoxyphenyl)pyra...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-16-6-12(17)4-5-14(16)15-10-19-9-13(20-15)8-18-7-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3
PDB

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27n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
UniProtKB/SwissProt

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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM212609
PNG
(US9278953, 14)
Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(F)c2[nH]nc(C3CC3)c2c1 |r|
Show InChI InChI=1/C21H21FN4O2/c1-21(7-2-8-23-20(21)28)14-5-6-16(24-19(14)27)12-9-13-17(11-3-4-11)25-26-18(13)15(22)10-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,23,28)(H,24,27)(H,25,26)/t21-/s2
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29.2 -43.0n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250386
PNG
(CHEMBL4095028)
UniProtKB/SwissProt

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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50095293
PNG
(CHEMBL3589085 | US9278953, 13)
Show SMILES CCn1ncc2c(C)cc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O |r|
Show InChI InChI=1S/C18H18Cl2N4O/c1-3-6-22-18-13-7-11(25-2)4-5-12(13)17(23-24-18)8-14-15(19)9-21-10-16(14)20/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,22,24)
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31.6 -42.8n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well ...


US Patent US9278953 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V5Z
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250384
PNG
(CHEMBL4073495)
UniProtKB/SwissProt

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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50250386
PNG
(CHEMBL4095028)
UniProtKB/SwissProt

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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
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