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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 5283   
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 F2-alpha receptor


(Homo sapiens (Human))
BDBM85339
PNG
(17-PHENYL TRINOR PGF2ALPHA-IPR | CAS_130209-76-6 |...)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc1ccccc1 |r|
Show InChI InChI=1S/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1
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18n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85720
PNG
(AGN 194394)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCS(=O)(=O)NC(C)=O |r|
Show InChI InChI=1S/C21H37NO6S/c1-3-4-7-10-17(24)12-13-19-18(20(25)15-21(19)26)11-8-5-6-9-14-29(27,28)22-16(2)23/h5,8,12-13,17-21,24-26H,3-4,6-7,9-11,14-15H2,1-2H3,(H,22,23)/b8-5+,13-12+/t17-,18-,19-,20+,21-/m1/s1
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34n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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45n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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48n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85718
PNG
(AGN 191366)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCc1nnn[nH]1 |r|
Show InChI InChI=1S/C20H34N4O3/c1-2-3-6-9-15(25)12-13-17-16(18(26)14-19(17)27)10-7-4-5-8-11-20-21-23-24-22-20/h4,7,12-13,15-19,25-27H,2-3,5-6,8-11,14H2,1H3,(H,21,22,23,24)/b7-4+,13-12+/t15-,16-,17-,18+,19-/m1/s1
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71n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85339
PNG
(17-PHENYL TRINOR PGF2ALPHA-IPR | CAS_130209-76-6 |...)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc1ccccc1 |r|
Show InChI InChI=1S/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1
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168n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85716
PNG
(AGN 191995)
Show SMILES CCCCC[C@@H](OC)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O |r|
Show InChI InChI=1S/C21H36O5/c1-3-4-7-10-16(26-2)13-14-18-17(19(22)15-20(18)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,16-20,22-23H,3-4,6-7,9-12,15H2,1-2H3,(H,24,25)/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
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228n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85715
PNG
(AGN 191365)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)NS(C)(=O)=O |r|
Show InChI InChI=1S/C21H37NO6S/c1-3-4-7-10-16(23)13-14-18-17(19(24)15-20(18)25)11-8-5-6-9-12-21(26)22-29(2,27)28/h5,8,13-14,16-20,23-25H,3-4,6-7,9-12,15H2,1-2H3,(H,22,26)/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
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307n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85719
PNG
(PGF2 Alpha, 1-isopropyl ester)
Show SMILES CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)OC(C)C |w:7.6,17.17|
Show InChI InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3
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3.20E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85719
PNG
(PGF2 Alpha, 1-isopropyl ester)
Show SMILES CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)OC(C)C |w:7.6,17.17|
Show InChI InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3
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5.00E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85714
PNG
(AGN 190911)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(N)=O |r|
Show InChI InChI=1S/C20H35NO4/c1-2-3-6-9-15(22)12-13-17-16(18(23)14-19(17)24)10-7-4-5-8-11-20(21)25/h4,7,12-13,15-19,22-24H,2-3,5-6,8-11,14H2,1H3,(H2,21,25)/b7-4+,13-12+/t15-,16-,17-,18+,19-/m1/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85718
PNG
(AGN 191366)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCc1nnn[nH]1 |r|
Show InChI InChI=1S/C20H34N4O3/c1-2-3-6-9-15(25)12-13-17-16(18(26)14-19(17)27)10-7-4-5-8-11-20-21-23-24-22-20/h4,7,12-13,15-19,25-27H,2-3,5-6,8-11,14H2,1H3,(H,21,22,23,24)/b7-4+,13-12+/t15-,16-,17-,18+,19-/m1/s1
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8.13E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85717
PNG
(AGN 192151)
Show SMILES CCCCC[C@@H](OC)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(N)=O |r|
Show InChI InChI=1S/C21H37NO4/c1-3-4-7-10-16(26-2)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(22)25/h5,8,13-14,16-20,23-24H,3-4,6-7,9-12,15H2,1-2H3,(H2,22,25)/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85716
PNG
(AGN 191995)
Show SMILES CCCCC[C@@H](OC)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O |r|
Show InChI InChI=1S/C21H36O5/c1-3-4-7-10-16(26-2)13-14-18-17(19(22)15-20(18)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,16-20,22-23H,3-4,6-7,9-12,15H2,1-2H3,(H,24,25)/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Homo sapiens (Human))
BDBM85721
PNG
(AGN 191088)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCCN |r|
Show InChI InChI=1S/C20H37NO3/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h5,8,12-13,16-20,22-24H,2-4,6-7,9-11,14-15,21H2,1H3/b8-5+,13-12+/t16-,17-,18-,19+,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85720
PNG
(AGN 194394)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCS(=O)(=O)NC(C)=O |r|
Show InChI InChI=1S/C21H37NO6S/c1-3-4-7-10-17(24)12-13-19-18(20(25)15-21(19)26)11-8-5-6-9-14-29(27,28)22-16(2)23/h5,8,12-13,17-21,24-26H,3-4,6-7,9-11,14-15H2,1-2H3,(H,22,23)/b8-5+,13-12+/t17-,18-,19-,20+,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85717
PNG
(AGN 192151)
Show SMILES CCCCC[C@@H](OC)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(N)=O |r|
Show InChI InChI=1S/C21H37NO4/c1-3-4-7-10-16(26-2)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(22)25/h5,8,13-14,16-20,23-24H,3-4,6-7,9-12,15H2,1-2H3,(H2,22,25)/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85715
PNG
(AGN 191365)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)NS(C)(=O)=O |r|
Show InChI InChI=1S/C21H37NO6S/c1-3-4-7-10-16(23)13-14-18-17(19(24)15-20(18)25)11-8-5-6-9-12-21(26)22-29(2,27)28/h5,8,13-14,16-20,23-25H,3-4,6-7,9-12,15H2,1-2H3,(H,22,26)/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85714
PNG
(AGN 190911)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(N)=O |r|
Show InChI InChI=1S/C20H35NO4/c1-2-3-6-9-15(22)12-13-17-16(18(23)14-19(17)24)10-7-4-5-8-11-20(21)25/h4,7,12-13,15-19,22-24H,2-3,5-6,8-11,14H2,1H3,(H2,21,25)/b7-4+,13-12+/t15-,16-,17-,18+,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85721
PNG
(AGN 191088)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCCN |r|
Show InChI InChI=1S/C20H37NO3/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h5,8,12-13,16-20,22-24H,2-4,6-7,9-11,14-15,21H2,1H3/b8-5+,13-12+/t16-,17-,18-,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair