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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with Target = 'DNA excision repair protein ERCC-5' 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
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157843
PNG
(7-Benzenesulfonyl-3-hydroxy-1H-thieno[3,2-d]pyrimi...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H8N2O5S2/c15-11-10-9(13-12(16)14(11)17)8(6-20-10)21(18,19)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.0230n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157830
PNG
(3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.0280n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157836
PNG
(7-Benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-di...)
Show SMILES On1c(=O)[nH]c2c(Cc3ccccc3)coc2c1=O
Show InChI InChI=1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17)
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n/an/a 0.0610n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157831
PNG
(3-Hydroxy-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4...)
Show SMILES On1c(=O)[nH]c2c3ccccc3sc2c1=O
Show InChI InChI=1S/C10H6N2O3S/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
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n/an/a 0.0620n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157832
PNG
(3-Hydroxy-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2sccc2c1=O
Show InChI InChI=1S/C6H4N2O3S/c9-5-3-1-2-12-4(3)7-6(10)8(5)11/h1-2,11H,(H,7,10)
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n/an/a 0.101n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157846
PNG
(3-Hydroxy-7-p-tolyl-1H-furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES Cc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O4/c1-7-2-4-8(5-3-7)9-6-19-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.128n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157841
PNG
(7-Biphenyl-4-yl-3-hydroxy-1H-furo[3,2-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H12N2O4/c21-17-16-15(19-18(22)20(17)23)14(10-24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,23H,(H,19,22)
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n/an/a 0.136n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157842
PNG
(3-Hydroxy-5-methyl-4a,7a-dihydro-1H-thieno[2,3-d]p...)
Show SMILES Cc1csc2[nH]c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C7H6N2O3S/c1-3-2-13-5-4(3)6(10)9(12)7(11)8-5/h2,12H,1H3,(H,8,11)
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n/an/a 0.145n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157854
PNG
(5,6-Dibutyl-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2...)
Show SMILES On1c(=O)[nH]c2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C10H10N2O3S/c13-9-7-5-3-1-2-4-6(5)16-8(7)11-10(14)12(9)15/h15H,1-4H2,(H,11,14)
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n/an/a 0.157n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM33412
PNG
(CHEMBL183852 | N-hydroxy quinazolinedione, 4)
Show SMILES On1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
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n/an/a 0.160n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157853
PNG
(5-Chloro-3-hydroxy-4a,8a-dihydro-1H-quinazoline-2,...)
Show SMILES On1c(=O)[nH]c2cccc(Cl)c2c1=O
Show InChI InChI=1S/C8H5ClN2O3/c9-4-2-1-3-5-6(4)7(12)11(14)8(13)10-5/h1-3,14H,(H,10,13)
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n/an/a 0.185n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157834
PNG
(3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2cc(sc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-8(13-12(16)14(11)17)6-9(18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.202n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157837
PNG
(3-Hydroxy-7-(3-methoxy-phenyl)-1H-furo[3,2-d]pyrim...)
Show SMILES COc1cccc(c1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O5/c1-19-8-4-2-3-7(5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.215n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157851
PNG
(3''-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-thieno[3,2...)
Show SMILES NC(=O)c1ccc(cc1)-c1cccc(Cn2c3ccsc3c(=O)n(O)c2=O)c1
Show InChI InChI=1S/C20H15N3O4S/c21-18(24)14-6-4-13(5-7-14)15-3-1-2-12(10-15)11-22-16-8-9-28-17(16)19(25)23(27)20(22)26/h1-10,27H,11H2,(H2,21,24)
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n/an/a 0.226n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157838
PNG
(3-Hydroxy-7-(4-methoxy-phenyl)-1H-furo[3,2-d]pyrim...)
Show SMILES COc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O5/c1-19-8-4-2-7(3-5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.230n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157848
PNG
(3-Hydroxy-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES On1c(=O)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C10H6N2O4/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
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n/an/a 0.257n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157835
PNG
(7-tert-Butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-...)
Show SMILES CC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1
Show InChI InChI=1S/C10H12N2O3S/c1-10(2,3)6-4-5-7(16-6)8(13)12(15)9(14)11-5/h4,15H,1-3H3,(H,11,14)
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n/an/a 0.258n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157829
PNG
(3-Hydroxy-7-phenyl-1H-furo[3,2-d]pyrimidine-2,4-di...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O4/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.276n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157840
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...)
Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O
Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2
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n/an/a 0.292n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157845
PNG
(7-(4-Bromo-phenyl)-3-hydroxy-1H-furo[3,2-d]pyrimid...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H7BrN2O4/c13-7-3-1-6(2-4-7)8-5-19-10-9(8)14-12(17)15(18)11(10)16/h1-5,18H,(H,14,17)
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n/an/a 0.327n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157847
PNG
(1-(3-Bromo-benzyl)-3-hydroxy-1H-thieno[3,2-d]pyrim...)
Show SMILES On1c(=O)n(Cc2cccc(Br)c2)c2ccsc2c1=O
Show InChI InChI=1S/C13H9BrN2O3S/c14-9-3-1-2-8(6-9)7-15-10-4-5-20-11(10)12(17)16(19)13(15)18/h1-6,19H,7H2
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n/an/a 0.550n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157833
PNG
(CHEMBL182077 | N-[3''-(3-Hydroxy-2,4-dioxo-3,4-dih...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cccc(Cn2c3ccsc3c(=O)n(O)c2=O)c1
Show InChI InChI=1S/C21H17N3O4S/c1-13(25)22-17-7-3-6-16(11-17)15-5-2-4-14(10-15)12-23-18-8-9-29-19(18)20(26)24(28)21(23)27/h2-11,28H,12H2,1H3,(H,22,25)
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n/an/a 0.556n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157850
PNG
(3-Hydroxy-1-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)n(Cc2ccccc2)c2sccc2c1=O
Show InChI InChI=1S/C13H10N2O3S/c16-11-10-6-7-19-12(10)14(13(17)15(11)18)8-9-4-2-1-3-5-9/h1-7,18H,8H2
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n/an/a 2n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157828
PNG
(3-Hydroxy-1-(7-methoxy-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES COc1cc(Cn2c3scc(C)c3c(=O)n(O)c2=O)cc2OCOc12
Show InChI InChI=1S/C16H14N2O6S/c1-8-6-25-15-12(8)14(19)18(21)16(20)17(15)5-9-3-10(22-2)13-11(4-9)23-7-24-13/h3-4,6,21H,5,7H2,1-2H3
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PubMed
n/an/a 3.04n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157844
PNG
(3-Hydroxy-5-methyl-1-phenyl-1H-thieno[2,3-d]pyrimi...)
Show SMILES Cc1csc2n(Cc3ccccc3)c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C14H12N2O3S/c1-9-8-20-13-11(9)12(17)16(19)14(18)15(13)7-10-5-3-2-4-6-10/h2-6,8,19H,7H2,1H3
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n/an/a 3.99n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157852
PNG
(3-Hydroxy-1,5-dimethyl-1H-thieno[2,3-d]pyrimidine-...)
Show SMILES Cc1csc2n(C)c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C8H8N2O3S/c1-4-3-14-7-5(4)6(11)10(13)8(12)9(7)2/h3,13H,1-2H3
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n/an/a 4.62n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157839
PNG
(3-Hydroxy-1-(4-methoxy-phenyl)-5-methyl-1H-thieno[...)
Show SMILES COc1ccc(cc1)-n1c2scc(C)c2c(=O)n(O)c1=O
Show InChI InChI=1S/C14H12N2O4S/c1-8-7-21-13-11(8)12(17)16(19)14(18)15(13)9-3-5-10(20-2)6-4-9/h3-7,19H,1-2H3
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n/an/a 8.45n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50157849
PNG
(3''-(3-Hydroxy-7-methyl-2,4-dioxo-3,4-dihydro-2H-t...)
Show SMILES Cc1csc2c1n(Cc1cccc(c1)-c1ccc(cc1)C(N)=O)c(=O)n(O)c2=O
Show InChI InChI=1S/C21H17N3O4S/c1-12-11-29-18-17(12)23(21(27)24(28)20(18)26)10-13-3-2-4-16(9-13)14-5-7-15(8-6-14)19(22)25/h2-9,11,28H,10H2,1H3,(H2,22,25)
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n/an/a 30.2n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152557
PNG
(2,4-Dioxo-4-[5-(4-trifluoromethoxy-phenyl)-thiophe...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H9F3O5S/c16-15(17,18)23-9-3-1-8(2-4-9)12-5-6-13(24-12)10(19)7-11(20)14(21)22/h1-6H,7H2,(H,21,22)
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n/an/a 310n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152565
PNG
(4-(4-Chloro-4''-methoxy-biphenyl-3-yl)-2,4-dioxo-b...)
Show SMILES COc1ccc(cc1)-c1ccc(Cl)c(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C17H13ClO5/c1-23-12-5-2-10(3-6-12)11-4-7-14(18)13(8-11)15(19)9-16(20)17(21)22/h2-8H,9H2,1H3,(H,21,22)
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n/an/a 570n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152553
PNG
(4-[5-(4-Chloro-3-fluoro-phenyl)-thiophen-2-yl]-2,4...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(s1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H8ClFO4S/c15-8-2-1-7(5-9(8)16)12-3-4-13(21-12)10(17)6-11(18)14(19)20/h1-5H,6H2,(H,19,20)
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n/an/a 900n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152564
PNG
(4-[5-(4-Chloro-phenyl)-furan-2-yl]-2,4-dioxo-butyr...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClO5/c15-9-3-1-8(2-4-9)12-5-6-13(20-12)10(16)7-11(17)14(18)19/h1-6H,7H2,(H,18,19)
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n/an/a 980n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152558
PNG
(4-(4-Chloro-biphenyl-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(ccc1Cl)-c1ccccc1
Show InChI InChI=1S/C16H11ClO4/c17-13-7-6-11(10-4-2-1-3-5-10)8-12(13)14(18)9-15(19)16(20)21/h1-8H,9H2,(H,20,21)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152580
PNG
(4-[5-(4-Ethoxy-phenyl)-furan-2-yl]-2,4-dioxo-butyr...)
Show SMILES CCOc1ccc(cc1)-c1ccc(o1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C16H14O6/c1-2-21-11-5-3-10(4-6-11)14-7-8-15(22-14)12(17)9-13(18)16(19)20/h3-8H,2,9H2,1H3,(H,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152581
PNG
(4-(4''-Methoxy-biphenyl-3-yl)-2,4-dioxo-butyric ac...)
Show SMILES COc1ccc(cc1)-c1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C17H14O5/c1-22-14-7-5-11(6-8-14)12-3-2-4-13(9-12)15(18)10-16(19)17(20)21/h2-9H,10H2,1H3,(H,20,21)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152562
PNG
(4-(3,4''-Dichloro-biphenyl-4-yl)-2,4-dioxo-butyric...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2O4/c17-11-4-1-9(2-5-11)10-3-6-12(13(18)7-10)14(19)8-15(20)16(21)22/h1-7H,8H2,(H,21,22)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152563
PNG
(2,4-Dioxo-4-(5-phenyl-furan-2-yl)-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C14H10O5/c15-10(8-11(16)14(17)18)13-7-6-12(19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152572
PNG
(2,4-Dioxo-4-(5-phenyl-thiophen-2-yl)-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C14H10O4S/c15-10(8-11(16)14(17)18)13-7-6-12(19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152551
PNG
(4-[5-(2-Chloro-phenyl)-furan-2-yl]-2,4-dioxo-butyr...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C14H9ClO5/c15-9-4-2-1-3-8(9)12-5-6-13(20-12)10(16)7-11(17)14(18)19/h1-6H,7H2,(H,18,19)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50115581
PNG
((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H12O5/c17-14(10-15(18)16(19)20)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152567
PNG
(2,4-Dioxo-4-(5-trifluoromethyl-thiophen-2-yl)-buty...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C9H5F3O4S/c10-9(11,12)7-2-1-6(17-7)4(13)3-5(14)8(15)16/h1-2H,3H2,(H,15,16)
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n/an/a 2.32E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152566
PNG
(4-[5-(4-tert-Butyl-phenyl)-furan-2-yl]-2,4-dioxo-b...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C18H18O5/c1-18(2,3)12-6-4-11(5-7-12)15-8-9-16(23-15)13(19)10-14(20)17(21)22/h4-9H,10H2,1-3H3,(H,21,22)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152548
PNG
(4-Biphenyl-3-yl-2,4-dioxo-butyric acid | CHEMBL185...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152569
PNG
(2,4-Dioxo-4-(3-phenoxy-phenyl)-butyric acid | CHEM...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H12O5/c17-14(10-15(18)16(19)20)11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,20)
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n/an/a 5.44E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152577
PNG
(4-(2,5-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-1-2-7(12)6(3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152568
PNG
(4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-1-2-6(7(12)3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 9.85E+3n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50083934
PNG
(4-(4-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50083940
PNG
(4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens)
BDBM50152552
PNG
(4-(2,3-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-6-3-1-2-5(9(6)12)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.21E+4n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Citation and Details
More data for this
Ligand-Target Pair
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