| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049521
BDB049521
|
BDBM50241984
O=NC1Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CC(N=O)C(=O)NCCc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC1=O
|
C34H26Br6N4O8 1098.026000 |
GDQQKBZRPYUTRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50241984
|
Local ready
Direct docking supported
|
|
E3L049522
BDB049522
|
BDBM50241990
[C]C(=[C])[C@@H]([C][C]=C([C])[C])[C][C@@]12[C][C@@H]([C][C]=C([C])[C])C([C])([C])[C@@]([C][C]=C([C])[C])(C(=O)[C](C(=O)c3ccc([O])c([O])c3)C1=O)C2=O
|
C38H5O6 557.452000 |
DOANGWFJSCDBBT-SMDXAGPFSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM50241990
|
Local ready
Direct docking supported
|
|
E3L049523
BDB049523
|
Baicalin
O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
|
C21H18O11 446.364000 |
IKIIZLYTISPENI-ZFORQUDYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50242173; PubChem:CID64982
|
Local ready
Direct docking supported
|
|
E3L049524
BDB049524
|
BDBM50242207
O=c1c2cc(O)c(O)cc2oc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
|
C19H18O12 438.341000 |
TXKFRRCKZWJXBW-GPRNFGOXSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50242207; PubChem:CID5319258
|
Local ready
Direct docking supported
|
|
E3L049525
BDB049525
|
Icosapent
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
|
C20H30O2 302.458000 |
JAZBEHYOTPTENJ-JLNKQSITSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242349; PubChem:CID446284
|
Local ready
Direct docking supported
|
|
E3L049526
BDB049526
|
BDBM50242417
O=C1NC(=O)/C(=C/c2ccc(OCCNc3nc4ccccc4s3)cc2)S1
|
C19H15N3O3S2 397.481000 |
WSMOTVLPHXFLIL-WJDWOHSUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242417; PubChem:CID137654393
|
Local ready
Direct docking supported
|
|
E3L049527
BDB049527
|
BDBM50242418
CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccc2ccccc2c1
|
C23H20N2O3S 404.491000 |
IKBYBIUKXYGCGV-STZFKDTASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242418; PubChem:CID137635167
|
Local ready
Direct docking supported
|
|
E3L049528
BDB049528
|
BDBM50242420
CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nccs1
|
C16H15N3O3S2 361.448000 |
GRFGENPMKNLCRJ-RAXLEYEMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242420; PubChem:CID10044126
|
Local ready
Direct docking supported
|
|
E3L049529
BDB049529
|
BDBM50242421
CC(C)N(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
|
C22H23N3O3S2 441.578000 |
XPICPMLLPSXQEL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242421; PubChem:CID59411499
|
Local ready
Direct docking supported
|
|
E3L049530
BDB049530
|
BDBM50242422
CCN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2s1
|
C21H19N3O3S2 425.535000 |
LODHKEHMEJTUCI-AQTBWJFISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242422; PubChem:CID137643813
|
Local ready
Direct docking supported
|
|
E3L049531
BDB049531
|
BDBM50242423
CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2s1
|
C20H17N3O3S2 411.508000 |
MVAJTSXLFIXXAM-ATVHPVEESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242423; PubChem:CID10431756
|
Local ready
Direct docking supported
|
|
E3L049532
BDB049532
|
BDBM50242424
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
|
C20H19N3O3S2 413.524000 |
ZOSMLZOMKXVTCW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242424; PubChem:CID9844638
|
Local ready
Direct docking supported
|
|
E3L049533
BDB049533
|
BDBM50242425
CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
|
C19H21N3O3S 371.462000 |
ZLMFZZNLVHHKFB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242425; PubChem:CID59411513
|
Local ready
Direct docking supported
|
|
E3L049534
BDB049534
|
BDBM50242427
CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
|
C21H21N3O3S2 427.551000 |
PUHNCOFJXJNUIS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242427; PubChem:CID59411578
|
Local ready
Direct docking supported
|
|
E3L049535
BDB049535
|
BDBM50242428
CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2[nH]1
|
C20H18N4O3S 394.456000 |
FJYMYCAEHJKSSA-ATVHPVEESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242428; PubChem:CID137644153
|
Local ready
Direct docking supported
|
|
E3L049536
BDB049536
|
BDBM50242429
CCN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1
|
C19H19N3O3S 369.446000 |
SALDCSUVUPPELW-SSZFMOIBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50242429; PubChem:CID137649932
|
Local ready
Direct docking supported
|
|
E3L049537
BDB049537
|
BDBM50242512
Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
|
C19H19N5O 333.395000 |
ITNDOQQPJSLLLO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50242512; PubChem:CID137659496
|
Local ready
Direct docking supported
|
|
E3L049538
BDB049538
|
BDBM50242626
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1
|
C27H26N4O3 454.530000 |
AOHKATYJFHGYRV-YPKPFQOOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242626; PubChem:CID137660379
|
Local ready
Direct docking supported
|
|
E3L049539
BDB049539
|
BDBM50242630
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
|
C21H21FN4O3 396.422000 |
UOHKZMQXEJGUES-HJWRWDBZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242630; PubChem:CID137642565
|
Local ready
Direct docking supported
|
|
E3L049540
BDB049540
|
BDBM50242631
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
|
C21H21ClN4O3 412.877000 |
GGQAXNFSEUSJJE-HJWRWDBZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50242631; PubChem:CID137632525
|
Local ready
Direct docking supported
|