| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014181
BDB014181
|
BDBM319688
COc1cccc2c1C(Cn1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CCC2
|
C23H21F3N6O 454.456000 |
GXHWXOVAFMKAQV-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM319688; PubChem:CID121454335
|
Local ready
Direct docking supported
|
|
E3L014182
BDB014182
|
BDBM320263
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3[nH]nnc3n2)CC1
|
C25H21FN8O2 484.495000 |
ZCMFMGMUZVMVAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320263; PubChem:CID122632801
|
Local ready
Direct docking supported
|
|
E3L014183
BDB014183
|
BDBM320264
Cc1nc2nc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)ccc2[nH]1
|
C27H24FN7O2 497.534000 |
QKWNJALBCIBHLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320264; PubChem:CID122632829
|
Local ready
Direct docking supported
|
|
E3L014184
BDB014184
|
BDBM320265
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3[nH]c(C(F)(F)F)nc3n2)CC1
|
C27H21F4N7O2 551.504000 |
BWJOJCZDLBFXFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320265; PubChem:CID122632803
|
Local ready
Direct docking supported
|
|
E3L014185
BDB014185
|
PARP1-IN-19 free base
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3[nH]cnc3n2)CC1
|
C26H22FN7O2 483.507000 |
VYZWBJPXMPDKIZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320266; PubChem:CID122632831
|
Local ready
Direct docking supported
|
|
E3L014186
BDB014186
|
BDBM320267
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3[nH]c(=O)[nH]c3n2)CC1
|
C26H22FN7O3 499.506000 |
NCBXDSSAJFVSED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320267; PubChem:CID122632835
|
Local ready
Direct docking supported
|
|
E3L014187
BDB014187
|
BDBM320268
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2cc3nc[nH]c3cn2)CC1
|
C26H22FN7O2 483.507000 |
NZTZGJGSMVJISI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320268; PubChem:CID122632834
|
Local ready
Direct docking supported
|
|
E3L014188
BDB014188
|
BDBM320269
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2cnc3[nH]cnc3c2)CC1
|
C26H22FN7O2 483.507000 |
AQPLFDKCDHIHNX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320269; PubChem:CID122632832
|
Local ready
Direct docking supported
|
|
E3L014189
BDB014189
|
BDBM320270
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ncc3[nH]cnc3n2)CC1
|
C25H21FN8O2 484.495000 |
OOAFWUIWCYIPSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320270; PubChem:CID122632836
|
Local ready
Direct docking supported
|
|
E3L014190
BDB014190
|
BDBM320271
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccc3[nH]c(=O)[nH]c3n2)CC1
|
C26H23N7O3 481.516000 |
CWBQHPKBOKORLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320271; PubChem:CID122632830
|
Local ready
Direct docking supported
|
|
E3L014191
BDB014191
|
BDBM320272
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccc3[nH]nnc3n2)CC1
|
C25H22N8O2 466.505000 |
UPXHERYRZITENC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320272; PubChem:CID122632810
|
Local ready
Direct docking supported
|
|
E3L014192
BDB014192
|
BDBM320273
Cc1nc2nc(N3CCN(C(=O)c4cccc(Cc5n[nH]c(=O)c6ccccc56)c4)CC3)ccc2[nH]1
|
C27H25N7O2 479.544000 |
VMMYMPLEEOMFHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320273; PubChem:CID122632811
|
Local ready
Direct docking supported
|
|
E3L014193
BDB014193
|
BDBM320274
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccc3[nH]c(C(F)(F)F)nc3n2)CC1
|
C27H22F3N7O2 533.514000 |
IZYUQBXNNCJYJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320274; PubChem:CID122632806
|
Local ready
Direct docking supported
|
|
E3L014194
BDB014194
|
BDBM320275
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccc3[nH]cnc3n2)CC1
|
C26H23N7O2 465.517000 |
HAYIEJIXTISZON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320275; PubChem:CID122632824
|
Local ready
Direct docking supported
|
|
E3L014195
BDB014195
|
BDBM320276
COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(c2ccc3[nH]cnc3n2)CC1
|
C27H25N7O3 495.543000 |
ZVKGLXICRCFJCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320276; PubChem:CID122632826
|
Local ready
Direct docking supported
|
|
E3L014196
BDB014196
|
BDBM320277
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1C(F)(F)F)N1CCN(c2ccc3[nH]cnc3n2)CC1
|
C27H22F3N7O2 533.514000 |
XAZCAJNWMRIWGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320277; PubChem:CID122632825
|
Local ready
Direct docking supported
|
|
E3L014197
BDB014197
|
BDBM320278
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1C(F)(F)F)N1CCN(c2ccc3[nH]nnc3n2)CC1
|
C26H21F3N8O2 534.502000 |
KKMLWOBAQNZCMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320278; PubChem:CID122632827
|
Local ready
Direct docking supported
|
|
E3L014198
BDB014198
|
BDBM320279
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1C(F)(F)F)N1CCN(c2ccc3[nH]c(=O)[nH]c3n2)CC1
|
C27H22F3N7O3 549.513000 |
DPJLEJQOQOJALO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320279; PubChem:CID122632820
|
Local ready
Direct docking supported
|
|
E3L014199
BDB014199
|
BDBM320280
COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(c2cc3nc[nH]c3cn2)CC1
|
C27H25N7O3 495.543000 |
YPDHTOHHEBJAQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320280; PubChem:CID122632818
|
Local ready
Direct docking supported
|
|
E3L014200
BDB014200
|
BDBM320281
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1C(F)(F)F)N1CCN(c2cc3nc[nH]c3cn2)CC1
|
C27H22F3N7O2 533.514000 |
CUVQPAWCMMSRQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM320281; PubChem:CID122632821
|
Local ready
Direct docking supported
|