| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032961
BDB032961
|
BDBM655732
CNC(=O)c1ccc(-c2cccc(O)c2)nc1NCC1CC1
|
C17H19N3O2 297.358000 |
WMVVEIOOKHOUSE-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655732; PubChem:CID126472319
|
Local ready
Direct docking supported
|
|
E3L032962
BDB032962
|
BDBM655733
CNC(=O)CCCNC(=O)c1nnn2c1CN(C(=O)OCCCCCC(C)C)CC2
|
C20H34N6O4 422.530000 |
LGCCEWRMOZLPRT-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655733; PubChem:CID166871734
|
Local ready
Direct docking supported
|
|
E3L032963
BDB032963
|
BDBM655734
CCCNC(=O)c1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1NC(C)=O
|
C16H17N5O5S 391.409000 |
REAXNPWKGNHYFY-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655734; PubChem:CID167361817
|
Local ready
Direct docking supported
|
|
E3L032964
BDB032964
|
BDBM655735
CCCC(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(NC(C)=O)c1
|
C16H17N5O5S 391.409000 |
RVWCQIFFVADWEO-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655735; PubChem:CID167361391
|
Local ready
Direct docking supported
|
|
E3L032965
BDB032965
|
BDBM655736
CCCCNc1ccc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1
|
C15H18N4O3S 334.401000 |
PWIAJWHHFHMHDP-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655736; PubChem:CID163884678
|
Local ready
Direct docking supported
|
|
E3L032966
BDB032966
|
BDBM655737
CCCCNc1ccc(NC(C)=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1
|
C16H19N5O4S 377.426000 |
AHMLHQKHUDHCLH-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655737; PubChem:CID167361816
|
Local ready
Direct docking supported
|
|
E3L032967
BDB032967
|
4-chloro-2-methyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1cc(Cl)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C11H8ClN3O3S 297.723000 |
LPRQJMMDHVMFNA-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655738; PubChem:CID167361484
|
Local ready
Direct docking supported
|
|
E3L032968
BDB032968
|
4-cyano-2-methyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1cc(C#N)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C12H8N4O3S 288.288000 |
GGTDIONGSPMWKB-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655739; PubChem:CID167361488
|
Local ready
Direct docking supported
|
|
E3L032969
BDB032969
|
4-bromo-2-methyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1cc(Br)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C11H8BrN3O3S 342.174000 |
HVHNBVPKKXYLHU-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655740; PubChem:CID167361897
|
Local ready
Direct docking supported
|
|
E3L032970
BDB032970
|
BDBM655741
Cc1cc(-c2ccccc2)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C17H13N3O3S 339.376000 |
ZNNTVRZWBSAMPN-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655741; PubChem:CID164161684
|
Local ready
Direct docking supported
|
|
E3L032971
BDB032971
|
2-methyl-6-nitro-N-(5-nitrothiazol-2-yl)benzamide
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C11H8N4O5S 308.275000 |
NNPUJVPYGYQFLM-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655742; PubChem:CID167361645
|
Local ready
Direct docking supported
|
|
E3L032972
BDB032972
|
BDBM655743
CCCCNc1ccc(OCC)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1
|
C16H20N4O4S 364.427000 |
AIVUNTNKDMWDKZ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655743; PubChem:CID167361418
|
Local ready
Direct docking supported
|
|
E3L032973
BDB032973
|
4-methoxy-2-methyl-N-(5-nitrothiazol-2-yl)benzamide
COc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1
|
C12H11N3O4S 293.304000 |
UWHNAMUEBUPNKQ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655744; PubChem:CID167361753
|
Local ready
Direct docking supported
|
|
E3L032974
BDB032974
|
2,6-dimethyl-N-(5-nitrothiazol-2-yl)benzamide
Cc1cccc(C)c1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C12H11N3O3S 277.305000 |
AIYGEKHTJCIKKU-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655745; PubChem:CID167361501
|
Local ready
Direct docking supported
|
|
E3L032975
BDB032975
|
4-ethyl-2-methyl-N-(5-nitrothiazol-2-yl)benzamide
CCc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1
|
C13H13N3O3S 291.332000 |
ONFJVGYSWKHTEO-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655746; PubChem:CID167361754
|
Local ready
Direct docking supported
|
|
E3L032976
BDB032976
|
2-ethoxy-6-methyl-N-(5-nitrothiazol-2-yl)benzamide
CCOc1cccc(C)c1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C13H13N3O4S 307.331000 |
CYJAFSGMOOQFNX-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655747; PubChem:CID167361920
|
Local ready
Direct docking supported
|
|
E3L032977
BDB032977
|
BDBM655748
CCCCNc1cc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c(OCC)c1
|
C17H22N4O4S 378.454000 |
LCNIGFOXBNXDMU-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655748; PubChem:CID167361833
|
Local ready
Direct docking supported
|
|
E3L032978
BDB032978
|
BDBM655749
Cc1cc(NC(C)C)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C14H16N4O3S 320.374000 |
OPNSDFVNIUEHCW-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655749; PubChem:CID167361949
|
Local ready
Direct docking supported
|
|
E3L032979
BDB032979
|
2-methyl-4-morpholino-N-(5-nitrothiazol-2-yl)benzamide
Cc1cc(N2CCOCC2)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C15H16N4O4S 348.384000 |
YRYKBOAGZCQWQP-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655750; PubChem:CID167361664
|
Local ready
Direct docking supported
|
|
E3L032980
BDB032980
|
BDBM655751
Cc1cc(N2CCN(C)CC2)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1
|
C16H19N5O3S 361.427000 |
IWWBYAWZTAYNRC-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655751; PubChem:CID167361871
|
Local ready
Direct docking supported
|