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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Porphobilinogen synthase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Porphobilinogen synthase


(Homo sapiens)
BDBM50437871
PNG
(CHEMBL2407927)
Show SMILES CC(N)C(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO3/c1-4(7)5(8)2-3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)
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2.00E+8n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALAD (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50441097
PNG
(CHEMBL2430564)
Show SMILES OC(=O)c1cc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
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n/an/a 8.53E+4n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human ALADH after 20 mins


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50441098
PNG
(CHEMBL2430563)
Show SMILES OC(=O)c1cc(cs1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
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n/an/a 9.97E+4n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human ALADH after 20 mins


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50441101
PNG
(CHEMBL2430571)
Show SMILES OC(=O)c1ccc2n(Cc3ccc(F)cc3)c(=O)n(Cc3ncccn3)c2c1
Show InChI InChI=1S/C20H15FN4O3/c21-15-5-2-13(3-6-15)11-24-16-7-4-14(19(26)27)10-17(16)25(20(24)28)12-18-22-8-1-9-23-18/h1-10H,11-12H2,(H,26,27)
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n/an/a 1.19E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human ALADH after 20 mins


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017189
PNG
(CHEMBL3287365)
Show SMILES OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)cnc2c1
Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-4-2-1-3-11(12)8-21-9-20-13-7-10(15(22)23)5-6-14(13)21/h1-7,9H,8H2,(H,22,23)
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n/an/a 1.45E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017192
PNG
(CHEMBL3287368)
Show SMILES COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C16H14N2O3/c1-21-13-4-2-3-11(7-13)9-18-10-17-14-8-12(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)
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n/an/a 1.56E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017188
PNG
(CHEMBL3287364)
Show SMILES OC(=O)c1ccc2n(Cc3ccc(cc3)C(F)(F)F)cnc2c1
Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-4-1-10(2-5-12)8-21-9-20-13-7-11(15(22)23)3-6-14(13)21/h1-7,9H,8H2,(H,22,23)
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n/an/a 1.73E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017183
PNG
(CHEMBL3287359)
Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1
Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-3-1-2-10(6-12)8-21-9-20-13-7-11(15(22)23)4-5-14(13)21/h1-7,9H,8H2,(H,22,23)
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n/an/a 1.97E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017190
PNG
(CHEMBL3287366)
Show SMILES OC(=O)c1ccc2n(Cc3ccccc3)cnc2c1
Show InChI InChI=1S/C15H12N2O2/c18-15(19)12-6-7-14-13(8-12)16-10-17(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
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n/an/a 2.13E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017191
PNG
(CHEMBL3287367)
Show SMILES Cc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)9-18-10-17-14-8-13(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)
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n/an/a 2.22E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017186
PNG
(CHEMBL3287362)
Show SMILES OC(=O)c1cccc2nc(CCNC(=O)c3cccs3)n(Cc3cccc(c3)C(F)(F)F)c12
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-19(9-10-27-21(30)18-8-3-11-33-18)28-17-7-2-6-16(20(17)29)22(31)32/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017195
PNG
(CHEMBL2430557)
Show SMILES OC(=O)c1c2CN(CCc2nc2ccccc12)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)13-5-3-4-12(10-13)19(27)26-9-8-17-15(11-26)18(20(28)29)14-6-1-2-7-16(14)25-17/h1-7,10H,8-9,11H2,(H,28,29)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017184
PNG
(CHEMBL3287360)
Show SMILES OC(=O)c1ccc2nc(CCNC(=O)c3cccs3)n(Cc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-12-15(22(31)32)6-7-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017182
PNG
(CHEMBL3287358)
Show SMILES OC(=O)c1ccc2[nH]c(CCNC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C15H13N3O3S/c19-14(12-2-1-7-22-12)16-6-5-13-17-10-4-3-9(15(20)21)8-11(10)18-13/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18)(H,20,21)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017185
PNG
(CHEMBL3287361)
Show SMILES OC(=O)c1cccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc12
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-5-1-4-14(12-15)13-29-17-7-2-6-16(22(31)32)20(17)28-19(29)9-10-27-21(30)18-8-3-11-33-18/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017193
PNG
(CHEMBL3287369)
Show SMILES Cn1cnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C9H8N2O2/c1-11-5-10-7-4-6(9(12)13)2-3-8(7)11/h2-5H,1H3,(H,12,13)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017194
PNG
(CHEMBL1774061)
Show SMILES OC(=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)
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n/an/a 5.11E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50017187
PNG
(CHEMBL3287363)
Show SMILES OC(=O)c1ccc2n(Cc3ccc(cc3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-6-3-14(4-7-16)13-29-18-8-5-15(22(31)32)12-17(18)28-20(29)9-10-27-21(30)19-2-1-11-33-19/h1-8,11-12H,9-10,13H2,(H,27,30)(H,31,32)
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n/an/a 6.37E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50441099
PNG
(CHEMBL2430574)
Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)
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n/an/a 7.39E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human PBGS using 5-ALA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50441099
PNG
(CHEMBL2430574)
Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)16-4-1-3-14(11-16)13-29-18-7-6-15(22(31)32)12-17(18)28-20(29)8-9-27-21(30)19-5-2-10-33-19/h1-7,10-12H,8-9,13H2,(H,27,30)(H,31,32)
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n/an/a 7.40E+5n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human ALADH after 20 mins


Citation and Details
More data for this
Ligand-Target Pair
Porphobilinogen synthase


(Homo sapiens)
BDBM50441100
PNG
(CHEMBL2430572)
Show SMILES OC(=O)c1ccc2n(Cc3ccc(F)cc3)c(=O)n(CCN3CCCC3)c2c1
Show InChI InChI=1S/C21H22FN3O3/c22-17-6-3-15(4-7-17)14-25-18-8-5-16(20(26)27)13-19(18)24(21(25)28)12-11-23-9-1-2-10-23/h3-8,13H,1-2,9-12,14H2,(H,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human ALADH after 20 mins


Citation and Details
More data for this
Ligand-Target Pair