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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'abid masood' and Initial = 'm'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360473
PNG
(CHEMBL1934749)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(CO)c(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H34N4O/c1-8-10-11-27(9-2)23-21-18(6)20(14-29)28(24(21)26-19(7)25-23)22-16(4)12-15(3)13-17(22)5/h12-13,29H,8-11,14H2,1-7H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360475
PNG
(CHEMBL1934751)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(COC)c(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H36N4O/c1-9-11-12-28(10-2)24-22-19(6)21(15-30-8)29(25(22)27-20(7)26-24)23-17(4)13-16(3)14-18(23)5/h13-14H,9-12,15H2,1-8H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360474
PNG
(CHEMBL1934750)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C=O)c(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H32N4O/c1-8-10-11-27(9-2)23-21-18(6)20(14-29)28(24(21)26-19(7)25-23)22-16(4)12-15(3)13-17(22)5/h12-14H,8-11H2,1-7H3
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52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383690
PNG
(CHEMBL2030120)
Show SMILES OC(=O)COc1ccccc1COc1ccc(Cl)cc1-c1ccno1
Show InChI InChI=1S/C18H14ClNO5/c19-13-5-6-16(14(9-13)17-7-8-20-25-17)23-10-12-3-1-2-4-15(12)24-11-18(21)22/h1-9H,10-11H2,(H,21,22)
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247n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383691
PNG
(CHEMBL2030121)
Show SMILES CCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(O)=O
Show InChI InChI=1S/C20H23NO5/c1-3-11-21-20(24)16-9-4-5-10-17(16)25-12-15-8-6-7-14(2)19(15)26-13-18(22)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,23)
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333n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383692
PNG
(CHEMBL2030122)
Show SMILES Cc1ccc2cccc(OCc3ccccc3OCC(O)=O)c2n1
Show InChI InChI=1S/C19H17NO4/c1-13-9-10-14-6-4-8-17(19(14)20-13)23-11-15-5-2-3-7-16(15)24-12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
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492n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383693
PNG
(CHEMBL2030123)
Show SMILES Cc1ccc(Cl)cc1OCc1ccccc1OCC(O)=O
Show InChI InChI=1S/C16H15ClO4/c1-11-6-7-13(17)8-15(11)20-9-12-4-2-3-5-14(12)21-10-16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383685
PNG
(CHEMBL2030115)
Show SMILES CCc1nn(Cc2cccc(Br)c2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C16H19BrN2O2/c1-3-14-13(9-16(20)21)15(4-2)19(18-14)10-11-6-5-7-12(17)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
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563n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383686
PNG
(CHEMBL2030116)
Show SMILES CCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
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574n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383694
PNG
(CHEMBL2030124)
Show SMILES OC(=O)COc1ccccc1COc1ccc(F)cc1C1CC1
Show InChI InChI=1S/C18H17FO4/c19-14-7-8-17(15(9-14)12-5-6-12)22-10-13-3-1-2-4-16(13)23-11-18(20)21/h1-4,7-9,12H,5-6,10-11H2,(H,20,21)
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591n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383687
PNG
(CHEMBL2030117)
Show SMILES CCc1nn(Cc2cc(Cl)ccc2Cl)c(CC)c1CC(O)=O
Show InChI InChI=1S/C16H18Cl2N2O2/c1-3-14-12(8-16(21)22)15(4-2)20(19-14)9-10-7-11(17)5-6-13(10)18/h5-7H,3-4,8-9H2,1-2H3,(H,21,22)
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623n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383688
PNG
(CHEMBL2030118)
Show SMILES CCc1nn(CC(O)=O)c(CC)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H22N2O2/c1-3-18-17(19(4-2)22(21-18)13-20(23)24)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
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631n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383689
PNG
(CHEMBL2030119)
Show SMILES OC(=O)Cn1cnc2CN(CCc12)C(=O)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c23-16(24)9-22-11-19-13-8-21(7-6-15(13)22)18(25)14-10-26-17(20-14)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,23,24)
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752n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360470
PNG
(CHEMBL1934746)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O
Show InChI InChI=1S/C29H33NO3/c1-4-14-29(33)15-13-26-24-11-7-20-16-22(32)10-12-23(20)27(24)25(17-28(26,29)2)19-5-8-21(9-6-19)30(3)18-31/h5-6,8-9,16,18,24-26,33H,7,10-13,15,17H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50360471
PNG
(CHEMBL1934747)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C(=C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H33NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17-18,24,26,32H,8,11-14,16H2,1-4H3/t24-,26-,28-,29-/m0/s1
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n/an/a 307n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360469
PNG
(CHEMBL1934745)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC(=O)C(CCC(O)=O)=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O
Show InChI InChI=1S/C28H33NO5/c1-4-14-28(34)15-13-23-20-9-11-24(31)21(10-12-25(32)33)26(20)22(16-27(23,28)2)18-5-7-19(8-6-18)29(3)17-30/h5-8,17,20,22-23,34H,9-13,15-16H2,1-3H3,(H,32,33)/t20-,22+,23-,27-,28-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360472
PNG
(CHEMBL1934748)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@](Cl)(C[C@]12C)c1cc(Cl)c(N(C)C)c(Cl)c1
Show InChI InChI=1S/C29H32Cl3NO2/c1-5-11-28(35)12-10-22-21-8-6-17-13-19(34)7-9-20(17)25(21)29(32,16-27(22,28)2)18-14-23(30)26(33(3)4)24(31)15-18/h13-15,21-22,35H,6-10,12,16H2,1-4H3/t21-,22-,27-,28-,29-/m0/s1
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n/an/a 771n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair