| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061901
BDB061901
|
BDBM50589153
COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1
|
C20H18FN3O3 367.380000 |
IHLQQRVPAWTHQV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589153; PubChem:CID153339072
|
Local ready
Direct docking supported
|
|
E3L061902
BDB061902
|
BDBM50589154
COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1
|
C21H20FN3O3 381.407000 |
KJFVXQCINKFONB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589154; PubChem:CID153339051
|
Local ready
Direct docking supported
|
|
E3L061903
BDB061903
|
BDBM50589155
COC1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H24FN3O3 409.461000 |
JTWHJULZPHHSLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589155; PubChem:CID153339069
|
Local ready
Direct docking supported
|
|
E3L061904
BDB061904
|
BDBM50589156
COC1CC(NC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1
|
C21H20FN3O3 381.407000 |
UANLZMJREXBLIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589156; PubChem:CID153339035
|
Local ready
Direct docking supported
|
|
E3L061905
BDB061905
|
BDBM50589157
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2c3ccccc3nc3ccccc23)CC1
|
C33H26FN5O2 543.602000 |
PHKWSTVRMZDWNZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589157; PubChem:CID168275938
|
Local ready
Direct docking supported
|
|
E3L061906
BDB061906
|
BDBM50589158
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1
|
C24H17N5O2S 439.500000 |
QGKHVXOCYJFODS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589158; PubChem:CID162534094
|
Local ready
Direct docking supported
|
|
E3L061907
BDB061907
|
BDBM50589159
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C29H24FN5O5 541.539000 |
CMKHQKYAIADDSU-PKNBQFBNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50589159; PubChem:CID168285870
|
Local ready
Direct docking supported
|
|
E3L061908
BDB061908
|
Lorecivivint
CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1
|
C29H24FN7O 505.557000 |
AQDWDWAYVBQMAM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50589392; PubChem:CID135565709
|
Local ready
Direct docking supported
|
|
E3L061909
BDB061909
|
H-Pro-Gly-Leu-Trp-Lys-Ser-Cys-OH
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O
|
C36H55N9O9S 789.957000 |
NPFAUGYEWVKESQ-AQRCPPRCSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589782; PubChem:CID168289257
|
Local ready
Direct docking supported
|
|
E3L061910
BDB061910
|
BDBM50589783
CC1CN=C(Nc2cccc(F)c2)S1
|
C10H11FN2S 210.277000 |
HACQCQBZFCWXOT-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589783; PubChem:CID389119
|
Local ready
Direct docking supported
|
|
E3L061911
BDB061911
|
BDBM50589784
C[C@H]1CN=C(Nc2cccc(O)c2)S1
|
C10H12N2OS 208.286000 |
WAICHRCMCQSSEP-ZETCQYMHSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589784; PubChem:CID818363
|
Local ready
Direct docking supported
|
|
E3L061912
BDB061912
|
5-Methyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CC1CN=C(Nc2ccccc2)S1
|
C10H12N2S 192.287000 |
QQURMDYWWNVZAF-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589785; PubChem:CID383595
|
Local ready
Direct docking supported
|
|
E3L061913
BDB061913
|
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
c1ccc(C2NCCc3sccc32)cc1
|
C13H13NS 215.321000 |
BKXOJOFWZSFANH-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589786; PubChem:CID6485298
|
Local ready
Direct docking supported
|
|
E3L061914
BDB061914
|
4-Phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
c1ccc(C2NCCc3occc32)cc1
|
C13H13NO 199.253000 |
QLIPDLZNNHFNKM-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589787; PubChem:CID70431629
|
Local ready
Direct docking supported
|
|
E3L061915
BDB061915
|
4-Phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-C]pyridine
c1ccc(C2NCCc3[nH]ccc32)cc1
|
C13H14N2 198.269000 |
ZHLMHBOAXFQGHL-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589788; PubChem:CID83637620
|
Local ready
Direct docking supported
|
|
E3L061916
BDB061916
|
4-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-4-yl)aniline
Nc1ccc(C2NCCc3sccc32)cc1
|
C13H14N2S 230.336000 |
YZCMETAKLJEQBV-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589789; PubChem:CID141917453
|
Local ready
Direct docking supported
|
|
E3L061917
BDB061917
|
4-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
Cc1ccc(C2NCCc3sccc32)cc1
|
C14H15NS 229.348000 |
XWIVMJSKELKHKK-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589790; PubChem:CID42773357
|
Local ready
Direct docking supported
|
|
E3L061918
BDB061918
|
4-(3-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
Clc1cccc(C2NCCc3sccc32)c1
|
C13H12ClNS 249.766000 |
SGGRXQLNFXCZMO-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589791; PubChem:CID82087323
|
Local ready
Direct docking supported
|
|
E3L061919
BDB061919
|
3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-4-yl}phenol
Oc1cccc(C2NCCc3sccc32)c1
|
C13H13NOS 231.320000 |
JEKRBOOLABEXKU-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589792; PubChem:CID165477685
|
Local ready
Direct docking supported
|
|
E3L061920
BDB061920
|
3-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-4-yl)aniline
Nc1cccc(C2NCCc3sccc32)c1
|
C13H14N2S 230.336000 |
MGAFBFIDMKVPQW-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50589793; PubChem:CID168286821
|
Local ready
Direct docking supported
|