| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031201
BDB031201
|
BDBM625593
COc1cc(N2CCC(N(C)C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1
|
C28H38ClN6O2P 557.079000 |
COCRBNKPTJZHDN-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625593; PubChem:CID166930858
|
Local ready
Direct docking supported
|
|
E3L031202
BDB031202
|
BDBM625594
COc1cc(N2CCC(N(C)C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1
|
C28H38BrN6O2P 601.530000 |
JRGRFDMEVXADMD-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625594; PubChem:CID166930711
|
Local ready
Direct docking supported
|
|
E3L031203
BDB031203
|
BDBM625596
COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(F)cc2P(C)(C)=O)n1
|
C30H40BrFN7O2P 660.573000 |
QCNWNKFYASABSV-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625596; PubChem:CID166930841
|
Local ready
Direct docking supported
|
|
E3L031204
BDB031204
|
BDBM625597
CCc1cc(Nc2ncc(Br)c(Nc3ccc(C)cc3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1
|
C32H45BrN7O2P 670.637000 |
MTJABDOZWOEWJD-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625597; PubChem:CID166930838
|
Local ready
Direct docking supported
|
|
E3L031205
BDB031205
|
BDBM625598
COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1
|
C30H40BrClN7O2P 677.028000 |
XOMJKMJVRWIBPL-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625598; PubChem:CID166930840
|
Local ready
Direct docking supported
|
|
E3L031206
BDB031206
|
BDBM625600
COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Br)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1
|
C30H40Br2N7O2P 721.479000 |
KUXIUJQTRQQZQQ-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625600; PubChem:CID166930852
|
Local ready
Direct docking supported
|
|
E3L031207
BDB031207
|
BDBM625601
COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cccc(C)c2P(C)(C)=O)n1
|
C31H43ClN7O2P 612.159000 |
ILAMEGXSIDAMQS-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625601; PubChem:CID89946623
|
Local ready
Direct docking supported
|
|
E3L031208
BDB031208
|
BDBM625603
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1
|
C30H41ClN7O2P 598.132000 |
OIEHQPKUMMPJDV-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM625603; PubChem:CID68165310
|
Local ready
Direct docking supported
|
|
E3L031209
BDB031209
|
BDBM626995
CNC(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)c(N)c1
|
C15H15N5O2 297.318000 |
GJNOOIFCJNPKAJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM626995
|
Local ready
Direct docking supported
|
|
E3L031210
BDB031210
|
BDBM626996
CNC(=O)c1ccc2c(c1)nc(-c1cc(-c3cncn3C)nc3ccccc13)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C29H22N8O2 514.549000 |
LFCIHJKXNHMRPJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM626996; PubChem:CID137526005
|
Local ready
Direct docking supported
|
|
E3L031211
BDB031211
|
BDBM626997
CNC(=O)c1ccc2c(c1)nc(-c1ccnc3ccccc13)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C25H18N6O2 434.459000 |
ZNEMRYGMRKXLLK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM626997; PubChem:CID137525547
|
Local ready
Direct docking supported
|
|
E3L031212
BDB031212
|
BDBM626998
CCc1nc2cc(C(=O)NC)ccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
|
C18H17N5O2 335.367000 |
PCMGHJOQBNLEDY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM626998; PubChem:CID137525995
|
Local ready
Direct docking supported
|
|
E3L031213
BDB031213
|
BDBM626999
CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C17H15N5O2 321.340000 |
ZRUWFPSTZFFMRJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM626999; PubChem:CID137526170
|
Local ready
Direct docking supported
|
|
E3L031214
BDB031214
|
5-(2-Aminoanilino)-1,3-dihydrobenzimidazol-2-one
Nc1ccccc1Nc1ccc2[nH]c(=O)[nH]c2c1
|
C13H12N4O 240.266000 |
BBMULEDTRSZOTQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627000; PubChem:CID115124304
|
Local ready
Direct docking supported
|
|
E3L031215
BDB031215
|
BDBM627001
O=c1[nH]c2ccc(-n3c(-c4ccnc5ccccc45)nc4ccccc43)cc2[nH]1
|
C23H15N5O 377.407000 |
WXWMKAXAGZAKMA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627001; PubChem:CID137532114
|
Local ready
Direct docking supported
|
|
E3L031216
BDB031216
|
BDBM627002
Cn1cncc1-c1cc(-c2nc3ccccc3n2-c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2n1
|
C27H19N7O 457.497000 |
ZGOUQTYKAQUKOV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627002; PubChem:CID137526064
|
Local ready
Direct docking supported
|
|
E3L031217
BDB031217
|
BDBM627003
COC(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)c(N)c1
|
C15H14N4O3 298.302000 |
SVIHMDTVMBEGTE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627003; PubChem:CID137526321
|
Local ready
Direct docking supported
|
|
E3L031218
BDB031218
|
BDBM627004
CNC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C22H17N5O2 383.411000 |
FFDJWZTXRQZFLN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627004; PubChem:CID137532079
|
Local ready
Direct docking supported
|
|
E3L031219
BDB031219
|
BDBM627005
CNC(=O)c1ccc2c(c1)nc(-c1ccncc1)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C21H16N6O2 384.399000 |
QCOWIBNBRVAMFD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627005; PubChem:CID137525961
|
Local ready
Direct docking supported
|
|
E3L031220
BDB031220
|
BDBM627006
O=c1[nH]c2ccc(-n3ccnc3-c3ccnc4ccccc34)cc2[nH]1
|
C19H13N5O 327.347000 |
QFNAYGFHHPNDBR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627006; PubChem:CID137526109
|
Local ready
Direct docking supported
|