| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046541
BDB046541
|
BDBM50138095
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCCCCCCO)C1=O
|
C25H31NO6 441.524000 |
UPYPBDPTACIYLQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138095; PubChem:CID11419333
|
Local ready
Direct docking supported
|
|
E3L046542
BDB046542
|
BDBM50138096
CC(C)CCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C25H31NO5 425.525000 |
YLRMGWBHSGYWBP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138096; PubChem:CID11384748
|
Local ready
Direct docking supported
|
|
E3L046543
BDB046543
|
BDBM50138097
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCC2CCCCC2)C1=O
|
C26H31NO5 437.536000 |
NMPMERXETFOOET-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138097; PubChem:CID11282033
|
Local ready
Direct docking supported
|
|
E3L046544
BDB046544
|
BDBM50138098
CCCSCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C23H27NO5S 429.538000 |
OGVBVKCEOOBRES-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138098; PubChem:CID11453165
|
Local ready
Direct docking supported
|
|
E3L046545
BDB046545
|
BDBM50138099
CCCCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C24H29NO5 411.498000 |
IAZPXLCQCRLWJX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138099; PubChem:CID9931437
|
Local ready
Direct docking supported
|
|
E3L046546
BDB046546
|
BDBM50138100
CCCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C24H29NO5 411.498000 |
IAZPXLCQCRLWJX-JOCHJYFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138100; PubChem:CID10112293
|
Local ready
Direct docking supported
|
|
E3L046547
BDB046547
|
BDBM50139109
CC(=O)OCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)O)C(=O)NCC(C)C
|
C29H45N3O8 563.692000 |
FQFQVINPQPAWNY-ROHNOIKCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50139109; PubChem:CID44370533
|
Local ready
Direct docking supported
|
|
E3L046548
BDB046548
|
BDBM50139110
CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)O)C(=O)NCC(C)C
|
C28H45N3O6 519.683000 |
KWRXVLZWXUNSLX-SBFWRKJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50139110; PubChem:CID44370558
|
Local ready
Direct docking supported
|
|
E3L046549
BDB046549
|
BDBM50139111
CC(C)CNC(=O)[C@H](CCC(=O)O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)O
|
C28H43N3O8 549.665000 |
XXRGSFKBMOSNFU-LDVJMBRRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50139111; PubChem:CID11757267
|
Local ready
Direct docking supported
|
|
E3L046550
BDB046550
|
BDBM50139112
CC(C)CNC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)O
|
C27H43N3O7 521.655000 |
BIQKMOUAVXIPRL-LDVJMBRRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50139112; PubChem:CID44370759
|
Local ready
Direct docking supported
|
|
E3L046551
BDB046551
|
Curcumin
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
|
C21H20O6 368.385000 |
VFLDPWHFBUODDF-FCXRPNKRSA-N | Q09472, Q92630, Q92793 | Histone acetyltransferase p300, CREB-binding protein, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50140172; PubChem:CID969516
|
Local ready
Direct docking supported
|
|
E3L046552
BDB046552
|
H-Thr-Asn-Trp-Tyr-Ala-Asn-Leu-Glu-Lys-Leu-Leu-Arg-OH
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
|
C70H109N19O19 1520.756000 |
NICQZKVYLYSFIC-KQAFBTIKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50140248; PubChem:CID127035157
|
Local ready
Direct docking supported
|
|
E3L046553
BDB046553
|
BDBM50140250
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C97H140N28O24S4 2210.627000 |
IDEHDJHJPGZWHY-QIEFXISYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50140250; PubChem:CID127036791
|
Local ready
Direct docking supported
|
|
E3L046554
BDB046554
|
BDBM50140251
Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CO)cc2)cc1
|
C25H28N2O2 388.511000 |
XMDKHHYDZUATHI-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50140251; PubChem:CID127026390
|
Local ready
Direct docking supported
|
|
E3L046555
BDB046555
|
Wogonin
COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
|
C16H12O5 284.267000 |
XLTFNNCXVBYBSX-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50140257; PubChem:CID5281703
|
Local ready
Direct docking supported
|
|
E3L046556
BDB046556
|
BDBM50142083
Brc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)cc2)cc1
|
C22H21Br2N3O 503.238000 |
OVUOVSPMCJKBJA-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50142083; PubChem:CID127026448
|
Local ready
Direct docking supported
|
|
E3L046557
BDB046557
|
BDBM50142084
N#Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C#N)cc2)cc1
|
C24H21N5O 395.466000 |
UXFRKSBJKXXYOR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50142084; PubChem:CID127026449
|
Local ready
Direct docking supported
|
|
E3L046558
BDB046558
|
BDBM50142086
N#Cc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(Br)cc2)cc1
|
C23H21BrN4O 449.352000 |
NRBMDBVJQXIUPR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50142086; PubChem:CID127024953
|
Local ready
Direct docking supported
|
|
E3L046559
BDB046559
|
BDBM50142245
N#Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)cc2)cc1
|
C23H21BrN4O 449.352000 |
PAOUIXRBQZGYIH-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50142245; PubChem:CID127024954
|
Local ready
Direct docking supported
|
|
E3L046560
BDB046560
|
2,3-Diphenyl-5-(piperidin-4-ylmethoxy)pyridine
c1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccccc2)cc1
|
C23H24N2O 344.458000 |
JQTVRZZEJIEHGP-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50142247; PubChem:CID127024955
|
Local ready
Direct docking supported
|