| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041241
BDB041241
|
US20250289799, Example 202
COc1cnc(-c2c(C)cnn2C(C)C)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
|
C24H26F3N7O 485.514000 |
YFIPPKQEZLPFMU-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772042; PubChem:CID176244200
|
Local ready
Direct docking supported
|
|
E3L041242
BDB041242
|
US20250289799, Example 203
C#Cc1cnc(-c2c(C)cnn2C(C)C)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
|
C25H24F3N7 479.510000 |
HKHXSSKRWRLFRI-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772043; PubChem:CID176244203
|
Local ready
Direct docking supported
|
|
E3L041243
BDB041243
|
US20250289799, Example 204
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1N(O)Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
|
C25H24F3N7O3 527.507000 |
HPYSSIJSHKEZAG-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772044; PubChem:CID175444710
|
Local ready
Direct docking supported
|
|
E3L041244
BDB041244
|
US20250289799, Example 205
COc1cnc(-c2c(C)cnn2C2CC2)nc1N(O)Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
|
C24H24F3N7O2 499.497000 |
OJLXTFCQRVJVCY-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772045; PubChem:CID175444712
|
Local ready
Direct docking supported
|
|
E3L041245
BDB041245
|
US20250289799, Example 206
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1N(C#N)Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
|
C26H23F3N8O2 536.518000 |
IKFOMFDXNMVTCF-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772046; PubChem:CID175907423
|
Local ready
Direct docking supported
|
|
E3L041246
BDB041246
|
US20250289799, Example 207
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1N(C)CC12C3C4C1C1C2C3C41c1nc(C(F)(F)F)cn1C
|
C28H28F3N7O2 551.573000 |
ZFEAWGRRYDGLEV-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772047; PubChem:CID176204093
|
Local ready
Direct docking supported
|
|
E3L041247
BDB041247
|
US20250289799, Example 209
COc1cnc(-c2c(Cl)cnn2C(C)C)nc1NCC12CCC(c3nc(C(F)(F)F)cn3C)(CC1)OC2
|
C24H29ClF3N7O2 539.990000 |
SFCQOUXIEJQNNJ-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772048; PubChem:CID175907410
|
Local ready
Direct docking supported
|
|
E3L041248
BDB041248
|
US20250289799, Example 210
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1NCC12CCC(c3nc(C(F)(F)F)cn3C)(CC1)OC2
|
C26H30F3N7O3 545.566000 |
KXZKCNXMMGOWRB-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772049; PubChem:CID177269182
|
Local ready
Direct docking supported
|
|
E3L041249
BDB041249
|
US20250289799, Example 211
COc1cnc(-c2c(Cl)cnn2C(C)C)nc1N(C)CC12CCC(c3nc(C(F)(F)F)cn3C)(CC1)OC2
|
C25H31ClF3N7O2 554.017000 |
RLRFPCNAOQAEEJ-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772050; PubChem:CID175907392
|
Local ready
Direct docking supported
|
|
E3L041250
BDB041250
|
US20250289799, Example 212
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1N(C)CC12CCC(c3nc(C(F)(F)F)cn3C)(CC1)OC2
|
C27H32F3N7O3 559.593000 |
OQMQOMZZMWYWCM-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772051; PubChem:CID176204082
|
Local ready
Direct docking supported
|
|
E3L041251
BDB041251
|
US20250289799, Example 215
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1NCC12C3C4C1C1C2C3C41c1nc(C(F)(F)F)cn1C
|
C27H26F3N7O2 537.546000 |
JYGBREYLRVNUCB-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772052; PubChem:CID177269244
|
Local ready
Direct docking supported
|
|
E3L041252
BDB041252
|
US20250289799, Example 216
COc1cnc(-c2c(OC)ncnc2C2CC2)nc1NCC12C3C4C1C1C2C3C41c1nc(C(F)(F)F)cn1C1CC1
|
C29H28F3N7O2 563.584000 |
UTRIMUMRRHBFFU-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM772053; PubChem:CID176204098
|
Local ready
Direct docking supported
|
|
E3L041253
BDB041253
|
BDBM772337
CCc1cc2ncc(CN3CC(Oc4cnc(C(=O)NC)c(I)c4)C3)cc2[nH]c1=O
|
C21H22IN5O3 519.343000 |
UQGWSFJNWABVFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772337; PubChem:CID177858809
|
Local ready
Direct docking supported
|
|
E3L041254
BDB041254
|
BDBM772339
CCc1cc2ncc([C@@H](C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
SRAQBMAZUKRMMA-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772339; PubChem:CID168188452
|
Local ready
Direct docking supported
|
|
E3L041255
BDB041255
|
BDBM772340
CCc1cc2ncc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
SRAQBMAZUKRMMA-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772340; PubChem:CID176886667
|
Local ready
Direct docking supported
|
|
E3L041256
BDB041256
|
BDBM772341
CNC(=O)c1ccc(OC2CN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C2)cn1
|
C22H23N5O3 405.458000 |
MZQLJDVPHFCVTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772341; PubChem:CID168188397
|
Local ready
Direct docking supported
|
|
E3L041257
BDB041257
|
BDBM772342
CCc1cc2ncc(CN3CCC(Cc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C23H27N5O2 405.502000 |
IMEZCZTVBJEACI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772342; PubChem:CID177755351
|
Local ready
Direct docking supported
|
|
E3L041258
BDB041258
|
BDBM772343
CCc1cc2ncc(CN3C[C@@H](F)[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
MJWRDYXAJRMSTH-UZLBHIALSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772343; PubChem:CID168188379
|
Local ready
Direct docking supported
|
|
E3L041259
BDB041259
|
BDBM772345
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
RAFFPMUHRKUXIM-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772345; PubChem:CID168188456
|
Local ready
Direct docking supported
|
|
E3L041260
BDB041260
|
BDBM772346
CNC(=O)c1ccc(OC2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C2)cn1
|
C23H25N5O3 419.485000 |
IOJMAKPLFDPDIB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772346; PubChem:CID177269560
|
Local ready
Direct docking supported
|