| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032921
BDB032921
|
1-(5-Nitro-2-thiazolyl)-2-piperidinone
O=C1CCCCN1c1ncc([N+](=O)[O-])s1
|
C8H9N3O3S 227.245000 |
XOUMJBKIUFGTQZ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655692; PubChem:CID154156263
|
Local ready
Direct docking supported
|
|
E3L032922
BDB032922
|
1-(5-Nitrothiazol-2-yl)azepan-2-one
O=C1CCCCCN1c1ncc([N+](=O)[O-])s1
|
C9H11N3O3S 241.272000 |
CPDTVOVANPOPJW-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655693; PubChem:CID149940674
|
Local ready
Direct docking supported
|
|
E3L032923
BDB032923
|
1-(5-Nitrothiazol-2-yl)azocan-2-one
O=C1CCCCCCN1c1ncc([N+](=O)[O-])s1
|
C10H13N3O3S 255.299000 |
DUXMVYPUUNXBFY-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655694; PubChem:CID162361735
|
Local ready
Direct docking supported
|
|
E3L032924
BDB032924
|
BDBM655695
CCOc1ccccc1C(=O)N(C)c1ncc(N=O)s1
|
C13H13N3O3S 291.332000 |
GUVWYLFGAIIPAV-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655695; PubChem:CID166871749
|
Local ready
Direct docking supported
|
|
E3L032925
BDB032925
|
BDBM655696
CC(C)COc1ccccc1C(=O)N(C)c1ncc(N=O)s1
|
C15H17N3O3S 319.386000 |
DCZBOLBZZAFHDF-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655696; PubChem:CID166871740
|
Local ready
Direct docking supported
|
|
E3L032926
BDB032926
|
BDBM655697
CCCc1ccccc1C(=O)N(C)c1ncc(N=O)s1
|
C14H15N3O2S 289.360000 |
VNVWQAHTNDZPKR-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655697; PubChem:CID164038163
|
Local ready
Direct docking supported
|
|
E3L032927
BDB032927
|
BDBM655698
CN(C(=O)c1ccccc1CCC(F)(F)F)c1ncc(N=O)s1
|
C14H12F3N3O2S 343.330000 |
MMUPYBXITZIPKW-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655698; PubChem:CID163778797
|
Local ready
Direct docking supported
|
|
E3L032928
BDB032928
|
BDBM655699
CC(C)Cc1ccccc1C(=O)N(C)c1ncc(N=O)s1
|
C15H17N3O2S 303.387000 |
SSMWPTKTNFCOEC-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655699; PubChem:CID166871742
|
Local ready
Direct docking supported
|
|
E3L032929
BDB032929
|
BDBM655700
CCCCNc1ccc(C(=O)N(C)c2ncc(N=O)s2)c(OCC)c1
|
C17H22N4O3S 362.455000 |
DBKSUFWERHUOSK-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655700; PubChem:CID166871747
|
Local ready
Direct docking supported
|
|
E3L032930
BDB032930
|
BDBM655701
CCCCNc1ccc(C(=O)Nc2ncc(N=O)s2)c(Nc2ccccc2)c1
|
C20H21N5O2S 395.488000 |
CWPWPDDKVXSVBG-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655701; PubChem:CID163503375
|
Local ready
Direct docking supported
|
|
E3L032931
BDB032931
|
BDBM655702
CCCCNc1ccc(C(=O)Nc2ncc(N=O)s2)c(C(C)C)c1
|
C17H22N4O2S 346.456000 |
OVGFUHFDYWFOBI-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655702; PubChem:CID166871795
|
Local ready
Direct docking supported
|
|
E3L032932
BDB032932
|
BDBM655703
CCCCNc1ccc(C(=O)Nc2ncc(N=O)s2)c(-c2ccccc2)c1
|
C20H20N4O2S 380.473000 |
VIDBWVAUIJFDSI-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655703; PubChem:CID166872966
|
Local ready
Direct docking supported
|
|
E3L032933
BDB032933
|
BDBM655704
CCCCNc1ccc(C(=O)Nc2nc(C)c(N=O)s2)c(-c2ccccc2)c1
|
C21H22N4O2S 394.500000 |
AVPQKDMKFYELMM-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655704; PubChem:CID166872981
|
Local ready
Direct docking supported
|
|
E3L032934
BDB032934
|
BDBM655705
CCCCNc1ccc(C(=O)Nc2nc(Cl)c(N=O)s2)c(-c2ccccc2)c1
|
C20H19ClN4O2S 414.918000 |
LKORKMGVNLYCOU-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655705; PubChem:CID166872977
|
Local ready
Direct docking supported
|
|
E3L032935
BDB032935
|
BDBM655706
CCCCNc1ccc(C(=O)Nc2nc(Br)c(N=O)s2)c(-c2ccccc2)c1
|
C20H19BrN4O2S 459.369000 |
DGKAMWYUIMDANK-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655706; PubChem:CID166872967
|
Local ready
Direct docking supported
|
|
E3L032936
BDB032936
|
BDBM655707
CCCCNc1ccc(C(=O)Nc2nc(C(F)(F)F)c(N=O)s2)c(-c2ccccc2)c1
|
C21H19F3N4O2S 448.470000 |
RDOZBNCUWIGLDG-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655707; PubChem:CID166872973
|
Local ready
Direct docking supported
|
|
E3L032937
BDB032937
|
BDBM655708
CCCCNc1ccc(C(=O)Nc2nc(C3CC3)c(N=O)s2)c(-c2ccccc2)c1
|
C23H24N4O2S 420.538000 |
VVNMTHZKNCEYBC-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655708; PubChem:CID166872968
|
Local ready
Direct docking supported
|
|
E3L032938
BDB032938
|
BDBM655709
CCCCNc1ccc(C(=O)Nc2nc(C)c(Cl)s2)c(-c2ccccc2)c1
|
C21H22ClN3OS 399.947000 |
VRDYAFHWQCYQNY-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655709; PubChem:CID166872978
|
Local ready
Direct docking supported
|
|
E3L032939
BDB032939
|
BDBM655710
CCCCNc1ccc(C(=O)Nc2ncc(Br)s2)c(-c2ccccc2)c1
|
C20H20BrN3OS 430.371000 |
PYECIDSOVWTXKZ-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655710; PubChem:CID163886940
|
Local ready
Direct docking supported
|
|
E3L032940
BDB032940
|
BDBM655711
CCCCNc1ccc(C(=O)Nc2ncc(C(F)(F)F)s2)c(-c2ccccc2)c1
|
C21H20F3N3OS 419.472000 |
MHYBBOHYAUBBCR-UHFFFAOYSA-N | Q16531 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM655711; PubChem:CID166872971
|
Local ready
Direct docking supported
|