| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051841
BDB051841
|
BDBM50309385
CC(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C21H19Cl2FN4O3 465.312000 |
YUKYGENZGHHHBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309385; PubChem:CID46229756
|
Local ready
Direct docking supported
|
|
E3L051842
BDB051842
|
BDBM50309386
CN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C20H19Cl2FN4O2 437.302000 |
FASDRXVRUNRPPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309386; PubChem:CID46229755
|
Local ready
Direct docking supported
|
|
E3L051843
BDB051843
|
BDBM50309387
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCNCC1
|
C19H17Cl2FN4O2 423.275000 |
HVKGBUOWSSCKRD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309387; PubChem:CID46229754
|
Local ready
Direct docking supported
|
|
E3L051844
BDB051844
|
BDBM50309388
CC(=O)N1CCCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C22H21Cl2FN4O3 479.339000 |
DYJWTCOVYPYXKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309388; PubChem:CID46230518
|
Local ready
Direct docking supported
|
|
E3L051845
BDB051845
|
BDBM50309389
CN1CCCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C21H21Cl2FN4O2 451.329000 |
XWOJXDKXEJJHCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309389; PubChem:CID46230517
|
Local ready
Direct docking supported
|
|
E3L051846
BDB051846
|
BDBM50309390
O=C(c1cc(Cc2c[nH]c(=O)c3c(Cl)cc(Cl)n23)ccc1F)N1CCCNCC1
|
C20H19Cl2FN4O2 437.302000 |
KMYHUIFPSLGYBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309390; PubChem:CID46230230
|
Local ready
Direct docking supported
|
|
E3L051847
BDB051847
|
BDBM50309391
O=C(c1cc(Cc2c[nH]c(=O)c3c(Cl)c(Cl)cn23)ccc1F)N1CCCNCC1
|
C20H19Cl2FN4O2 437.302000 |
TYEHQEPKWMCWLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309391; PubChem:CID46230516
|
Local ready
Direct docking supported
|
|
E3L051848
BDB051848
|
BDBM50309392
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCCNCC1
|
C20H19Cl2FN4O2 437.302000 |
GPIBUHIRGWDJRU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309392; PubChem:CID46230229
|
Local ready
Direct docking supported
|
|
E3L051849
BDB051849
|
BDBM50309393
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)cn23)ccc1F)N1CCCNCC1
|
C20H20ClFN4O2 402.857000 |
JOQPDHQMLCLVBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309393; PubChem:CID46230228
|
Local ready
Direct docking supported
|
|
E3L051850
BDB051850
|
BDBM50309394
Cc1cc2c(=O)[nH]cc(Cc3ccc(F)c(C(=O)N4CCCNCC4)c3)n2c1
|
C21H23FN4O2 382.439000 |
FAUHOUDPXZQRLB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309394; PubChem:CID46230515
|
Local ready
Direct docking supported
|
|
E3L051851
BDB051851
|
BDBM50309395
O=C(c1cc(Cc2c[nH]c(=O)c3cccn23)ccc1F)N1CCCNCC1
|
C20H21FN4O2 368.412000 |
PUAVIRQWDQMZBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309395; PubChem:CID23624268
|
Local ready
Direct docking supported
|
|
E3L051852
BDB051852
|
BDBM50309586
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
|
C17H16N4OS 324.409000 |
YCMVEOBGMBPGAS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50309586; PubChem:CID881297
|
Local ready
Direct docking supported
|
|
E3L051853
BDB051853
|
BDBM50309910
COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
|
C19H15ClN4O2 366.808000 |
ZNOLRTPMNMPLHY-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50309910; PubChem:CID9929127
|
Local ready
Direct docking supported
|
|
E3L051854
BDB051854
|
2-Methyl-3-oxoisoindoline-4-carboxamide
CN1Cc2cccc(C(N)=O)c2C1=O
|
C10H10N2O2 190.202000 |
QOVRDWMLHZBTCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309912; PubChem:CID24937582
|
Local ready
Direct docking supported
|
|
E3L051855
BDB051855
|
2-Isobutyl-3-oxoisoindoline-4-carboxamide
CC(C)CN1Cc2cccc(C(N)=O)c2C1=O
|
C13H16N2O2 232.283000 |
ZDLOUHSDCHQCBB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309913; PubChem:CID24937580
|
Local ready
Direct docking supported
|
|
E3L051856
BDB051856
|
2-Cyclohexyl-3-oxoisoindoline-4-carboxamide
NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2
|
C15H18N2O2 258.321000 |
AEDVPHAKDUNUHG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309914; PubChem:CID5309879
|
Local ready
Direct docking supported
|
|
E3L051857
BDB051857
|
3-Oxo-2-(pyrrolidin-3-yl)isoindoline-4-carboxamide
NC(=O)c1cccc2c1C(=O)N(C1CCNC1)C2
|
C13H15N3O2 245.282000 |
JQZSJDHTHHCKLG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309915; PubChem:CID24937834
|
Local ready
Direct docking supported
|
|
E3L051858
BDB051858
|
BDBM50309916
NC(=O)c1cccc2c1C(=O)N(C1CCNCC1)C2
|
C14H17N3O2 259.309000 |
KISOFIKBJFDVKM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309916; PubChem:CID24937836
|
Local ready
Direct docking supported
|
|
E3L051859
BDB051859
|
3-Oxo-2-(piperidin-3-yl)isoindoline-4-carboxamide
NC(=O)c1cccc2c1C(=O)N(C1CCCNC1)C2
|
C14H17N3O2 259.309000 |
DXXLJBKLKLFCHK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309917; PubChem:CID24937705
|
Local ready
Direct docking supported
|
|
E3L051860
BDB051860
|
BDBM50309918
NC(=O)c1cccc2c1C(=O)N(CC1CCCN1)C2
|
C14H17N3O2 259.309000 |
XGTOVXYKFYVZOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309918; PubChem:CID24937837
|
Local ready
Direct docking supported
|