| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059041
BDB059041
|
BDBM50520587
C=CC(=O)Nc1cc(Nc2nccc(Nc3ccccc3S(=O)(=O)N(C)C)n2)c(OC)cc1N(C)CCN(C)C
|
C27H36N8O4S 568.704000 |
CHQPVKQIKUZXJB-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520587; PubChem:CID155550199
|
Local ready
Direct docking supported
|
|
E3L059042
BDB059042
|
BDBM50520588
C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c(OC)cc1N(C)CCN(C)C
|
C27H35ClN8O4S 603.149000 |
CNQREVSEDFUJPZ-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520588; PubChem:CID155520571
|
Local ready
Direct docking supported
|
|
E3L059043
BDB059043
|
BDBM50520589
C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N(C)CCN(C)C
|
C28H36ClN7O4S 602.161000 |
GDRLJBDXWDATLA-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520589; PubChem:CID155536330
|
Local ready
Direct docking supported
|
|
E3L059044
BDB059044
|
BDBM50520591
C=CC(=O)Nc1cc(Nc2ncc(I)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c(OC)cc1N(C)CCN(C)C
|
C27H35IN8O4S 694.600000 |
ADQFBAMWKUTCQJ-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520591; PubChem:CID155532442
|
Local ready
Direct docking supported
|
|
E3L059045
BDB059045
|
BDBM50520592
C=CC(=O)Nc1cc(Nc2nccc(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N(C)CCN(C)C
|
C28H37N7O4S 567.716000 |
ZCICFBOTBSKMJF-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520592; PubChem:CID155540048
|
Local ready
Direct docking supported
|
|
E3L059046
BDB059046
|
BDBM50520593
C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)cc1N(C)CCN(C)C
|
C27H35ClN7O3P 572.050000 |
MQZWITYZSPAJLX-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520593; PubChem:CID71470563
|
Local ready
Direct docking supported
|
|
E3L059047
BDB059047
|
BDBM50520594
C=CC(=O)Nc1cc(Nc2nccc(Nc3ccccc3P(C)(C)=O)n2)c(OC)cc1N(C)CCN(C)C
|
C27H36N7O3P 537.605000 |
JBNBUAOVEXTUNO-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520594; PubChem:CID155166360
|
Local ready
Direct docking supported
|
|
E3L059048
BDB059048
|
BDBM50520595
C=CC(=O)Nc1cc(Nc2ncc(F)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c(OC)cc1N(C)CCN(C)C
|
C27H35FN8O4S 586.694000 |
MTZNLMGFYVEIAP-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520595; PubChem:CID155550347
|
Local ready
Direct docking supported
|
|
E3L059049
BDB059049
|
BDBM50520596
C=CC(=O)Nc1cc(Nc2ncc(F)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)cc1N(C)CCN(C)C
|
C27H35FN7O3P 555.595000 |
SXEYAAMYAQFZGM-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50520596; PubChem:CID155183985
|
Local ready
Direct docking supported
|
|
E3L059050
BDB059050
|
BDBM50520683
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O
|
C14H11Cl2N3O2S 356.234000 |
FNTHJTUPRVAXFZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50520683; PubChem:CID24424330
|
Local ready
Direct docking supported
|
|
E3L059051
BDB059051
|
CDK inhibitor 4.35
CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(SCCN)nc12
|
C22H25N7S 419.558000 |
PCQPAKMJSYGXRE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50521533; PubChem:CID138105941
|
Local ready
Direct docking supported
|
|
E3L059052
BDB059052
|
BDBM50521636
Cn1nnc2cc([C@H](CC(=O)O)c3ccc(Cl)cc3)ccc21
|
C16H14ClN3O2 315.760000 |
LCHKWRPFWJXZAW-CYBMUJFWSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521636; PubChem:CID137797043
|
Local ready
Direct docking supported
|
|
E3L059053
BDB059053
|
3-(4-Chlorophenyl)-3-(3-hydroxyphenyl)propanoic acid
O=C(O)CC(c1ccc(Cl)cc1)c1cccc(O)c1
|
C15H13ClO3 276.719000 |
KZZWKQBIPPHKAO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521637; PubChem:CID155516485
|
Local ready
Direct docking supported
|
|
E3L059054
BDB059054
|
BDBM50521638
Cn1nnc2cc([C@@H](CC(=O)O)c3ccc(Cl)cc3)ccc21
|
C16H14ClN3O2 315.760000 |
LCHKWRPFWJXZAW-ZDUSSCGKSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521638; PubChem:CID118987021
|
Local ready
Direct docking supported
|
|
E3L059055
BDB059055
|
BDBM50521639
O=C(O)CC(c1ccc(Cl)cc1)c1ccn2cnnc2c1
|
C15H12ClN3O2 301.733000 |
SWOWNOACGTWAQM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521639; PubChem:CID155528221
|
Local ready
Direct docking supported
|
|
E3L059056
BDB059056
|
BDBM50521640
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN(C)S(=O)(=O)c1ccccc1
|
C25H26N4O4S 478.574000 |
QJFXAWTUFRGEDO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521640; PubChem:CID118170437
|
Local ready
Direct docking supported
|
|
E3L059057
BDB059057
|
BDBM50521641
Cn1nnc2cc(C(CC(=O)O)c3ccc(Cl)c(CO)c3)ccc21
|
C17H16ClN3O3 345.786000 |
ZYLQDVHQXSUVQO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521641; PubChem:CID118170336
|
Local ready
Direct docking supported
|
|
E3L059058
BDB059058
|
BDBM50521642
Cn1ccc(C(CC(=O)O)c2ccc(Cl)cc2)cc1=O
|
C15H14ClNO3 291.734000 |
AMEUMOTVCRUXGA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521642; PubChem:CID155568159
|
Local ready
Direct docking supported
|
|
E3L059059
BDB059059
|
BDBM50521643
Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl
|
C17H16ClN3O2 329.787000 |
KAYDCNXQTQFWMU-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50521643; PubChem:CID155556167
|
Local ready
Direct docking supported
|
|
E3L059060
BDB059060
|
BDBM50521948
Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1
|
C17H16ClN3O2 329.787000 |
LRMOBVZLNQXLBI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50521948; PubChem:CID129147662
|
Local ready
Direct docking supported
|