| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061421
BDB061421
|
BDBM50582532
O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1c(F)cc(F)cc1Br
|
C22H13BrF2N2O4S 519.323000 |
VBAPRGNDRKQXHC-NGYBGAFCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50582532; PubChem:CID166631929
|
Local ready
Direct docking supported
|
|
E3L061422
BDB061422
|
BDBM50582535
Cc1cc(Br)ccc1NC(=O)COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1
|
C23H17BrN2O4S 497.370000 |
OVYVATCIVXIUCL-KEBDBYFISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50582535; PubChem:CID166635317
|
Local ready
Direct docking supported
|
|
E3L061423
BDB061423
|
BDBM50582538
O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(Br)cc1
|
C22H15BrN2O4S 483.343000 |
HBKXKIGCMXKNTC-VXLYETTFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50582538; PubChem:CID166635450
|
Local ready
Direct docking supported
|
|
E3L061424
BDB061424
|
BDBM50582540
O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc([N+](=O)[O-])cc1
|
C22H15N3O6S 449.444000 |
CZWQVHMBWIVBNF-VXLYETTFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50582540; PubChem:CID166631636
|
Local ready
Direct docking supported
|
|
E3L061425
BDB061425
|
BDBM50582541
O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(Br)cc1F
|
C22H14BrFN2O4S 501.333000 |
VFAYPWCMGURCSZ-UFWORHAWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50582541; PubChem:CID166633845
|
Local ready
Direct docking supported
|
|
E3L061426
BDB061426
|
BDBM50582622
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NC(COCc1cn(CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)nn1)C(=O)NCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C79H91ClF2N16O12S 1562.213000 |
VCVPMJJSSIKMNU-WVLWANPTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50582622
|
Local ready
Direct docking supported
|
|
E3L061427
BDB061427
|
EGFR/PARP degrader DP-C-1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)NC(Cc1ccc(OCc2cn(CCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C66H59ClF2N14O12 1313.733000 |
YLQNJLNLUAYSBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50582623; PubChem:CID166629002
|
Local ready
Direct docking supported
|
|
E3L061428
BDB061428
|
BDBM50582730
Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1[C@@H]1CCOC1
|
C21H27N9O 421.509000 |
QSDVZPULRUJSBC-TZMCWYRMSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50582730; PubChem:CID155928387
|
Local ready
Direct docking supported
|
|
E3L061429
BDB061429
|
BDBM50582731
Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1[C@H]1CCOC1
|
C21H27N9O 421.509000 |
QSDVZPULRUJSBC-OCCSQVGLSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50582731; PubChem:CID155928388
|
Local ready
Direct docking supported
|
|
E3L061430
BDB061430
|
Epz-719
Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CC[C@H](N(C)S(C)(=O)=O)C4)C3)[nH]c12
|
C22H31FN4O3S 450.580000 |
ZLVKIBLQXFILMA-IKGGRYGDSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50582885; PubChem:CID156599545
|
Local ready
Direct docking supported
|
|
E3L061431
BDB061431
|
BDBM50582886
Cc1cccnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1
|
C20H21N3O 319.408000 |
QXMZPTHMVZPHBT-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50582886; PubChem:CID166636281
|
Local ready
Direct docking supported
|
|
E3L061432
BDB061432
|
BDBM50582889
CC(=O)N(C)C1CCN(c2cc(F)cc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)C1
|
C23H24F2N4O2 426.467000 |
ZNRYMFGQJYWIRE-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50582889; PubChem:CID146382357
|
Local ready
Direct docking supported
|
|
E3L061433
BDB061433
|
BDBM50582894
Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCC(N(C)C)CC4)c3)[nH]c12
|
C23H27FN4O 394.494000 |
GBIAQCRLFDZGOQ-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50582894; PubChem:CID156599544
|
Local ready
Direct docking supported
|
|
E3L061434
BDB061434
|
BDBM50582901
Cc1cccnc1C(NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C1CC1
|
C20H20FN3O 337.398000 |
IYOJRUQOOVAGRU-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50582901; PubChem:CID166633482
|
Local ready
Direct docking supported
|
|
E3L061435
BDB061435
|
Cdk6/pim1-IN-1
CCN(CC)c1cnc2ccc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2n1
|
C25H28FN9 473.560000 |
SKOICOFQIQHEPE-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50583189; PubChem:CID163196279
|
Local ready
Direct docking supported
|
|
E3L061436
BDB061436
|
BDBM50583626
CC[C@H](Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O
|
C21H22F3NO4 409.404000 |
VPAHYLNIDWFBPW-CQSZACIVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50583626; PubChem:CID129520967
|
Local ready
Direct docking supported
|
|
E3L061437
BDB061437
|
BDBM50583627
CC[C@@H](Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O
|
C21H22F3NO4 409.404000 |
VPAHYLNIDWFBPW-AWEZNQCLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50583627; PubChem:CID129520966
|
Local ready
Direct docking supported
|
|
E3L061438
BDB061438
|
BDBM50583747
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C(C)(C)C
|
C16H20N6 296.378000 |
UCULOFHOCATNHB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583747; PubChem:CID135336023
|
Local ready
Direct docking supported
|
|
E3L061439
BDB061439
|
BDBM50583748
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C1CCCC1
|
C17H20N6 308.389000 |
DGTHPUFVPBPNPD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583748; PubChem:CID135336047
|
Local ready
Direct docking supported
|
|
E3L061440
BDB061440
|
BDBM50583749
COCCCn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21
|
C16H20N6O 312.377000 |
HPYSMRPYCUVINY-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583749; PubChem:CID135335808
|
Local ready
Direct docking supported
|