| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L041261
BDB041261
|
BDBM772347
CCc1cc2ncc(CN3CCC(Oc4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
DHSZYXBYHSWXJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772347; PubChem:CID171487928
|
Local ready
Direct docking supported
|
|
E3L041262
BDB041262
|
BDBM772348
CCc1cc2ncc(C(C)N3CC(Oc4ccc(C(=O)NC)nc4C)C3)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
COJPQFVBAVPXEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772348; PubChem:CID177269551
|
Local ready
Direct docking supported
|
|
E3L041263
BDB041263
|
BDBM772349
CCc1nc2ccc(C(C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
VFZVJVNBWXGYPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772349; PubChem:CID177755352
|
Local ready
Direct docking supported
|
|
E3L041264
BDB041264
|
BDBM772350
CCc1cc2ncc(C(C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
YJBHZZJZTYUYSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772350; PubChem:CID170311158
|
Local ready
Direct docking supported
|
|
E3L041265
BDB041265
|
BDBM772351
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@@H](F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
MJWRDYXAJRMSTH-JXFKEZNVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772351; PubChem:CID168188298
|
Local ready
Direct docking supported
|
|
E3L041266
BDB041266
|
BDBM772352
CCc1nc2ccc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
HTEWLQRCVHOPKA-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772352; PubChem:CID177269554
|
Local ready
Direct docking supported
|
|
E3L041267
BDB041267
|
BDBM772353
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
NZQPRXHMLLJOOI-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772353; PubChem:CID177269558
|
Local ready
Direct docking supported
|
|
E3L041268
BDB041268
|
BDBM772354
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4C)C3)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
UFNGBFXVEOMIAH-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772354; PubChem:CID177269550
|
Local ready
Direct docking supported
|
|
E3L041269
BDB041269
|
BDBM772355
CCc1cc2ncc(C(C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
SRAQBMAZUKRMMA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772355; PubChem:CID168188229
|
Local ready
Direct docking supported
|
|
E3L041270
BDB041270
|
BDBM772356
CCc1cc2ncc(CN3CC(Oc4ccc(C(=O)NC)nc4C)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
HKFBJHASYDNRJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772356; PubChem:CID171445043
|
Local ready
Direct docking supported
|
|
E3L041271
BDB041271
|
BDBM772357
CCc1cc2ncc([C@@H](C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
YJBHZZJZTYUYSR-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772357; PubChem:CID177858810
|
Local ready
Direct docking supported
|
|
E3L041272
BDB041272
|
BDBM772358
CCc1cc2ncc([C@@H](C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
YJBHZZJZTYUYSR-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772358; PubChem:CID177858810
|
Local ready
Direct docking supported
|
|
E3L041273
BDB041273
|
BDBM772359
CCc1cc2cnc([C@@H](C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
UJTIJWYBZSOTEQ-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772359; PubChem:CID177858811
|
Local ready
Direct docking supported
|
|
E3L041274
BDB041274
|
BDBM772360
CCc1cc2cnc([C@@H](C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
UJTIJWYBZSOTEQ-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772360; PubChem:CID177858811
|
Local ready
Direct docking supported
|
|
E3L041275
BDB041275
|
BDBM772361
CCc1cc2cnc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
ZKJMTHJCKGLVHR-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772361; PubChem:CID177269548
|
Local ready
Direct docking supported
|
|
E3L041276
BDB041276
|
BDBM772362
CCc1cc2cnc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4F)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
ZKJMTHJCKGLVHR-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772362; PubChem:CID177269548
|
Local ready
Direct docking supported
|
|
E3L041277
BDB041277
|
BDBM772363
CCc1cc2cnc(C(C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
UJTIJWYBZSOTEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772363; PubChem:CID177269539
|
Local ready
Direct docking supported
|
|
E3L041278
BDB041278
|
BDBM772364
CCc1nc2ccc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
VFZVJVNBWXGYPP-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772364; PubChem:CID177858812
|
Local ready
Direct docking supported
|
|
E3L041279
BDB041279
|
BDBM772365
CCc1nc2ccc([C@H](C)N3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
VFZVJVNBWXGYPP-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772365; PubChem:CID177858812
|
Local ready
Direct docking supported
|
|
E3L041280
BDB041280
|
BDBM772366
CCc1nc2ccc(C(C)N3CC(Oc4ccc(-n5ccnn5)nc4)C3)cc2[nH]c1=O
|
C22H23N7O2 417.473000 |
NSSQQYWATKDTQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM772366; PubChem:CID177755357
|
Local ready
Direct docking supported
|