| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053801
BDB053801
|
2,2-Dimethyl-5-(4-phenoxyphenoxy)pentanoic acid
CC(C)(CCCOc1ccc(Oc2ccccc2)cc1)C(=O)O
|
C19H22O4 314.381000 |
WKDYWFYYJXEQNF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353751; PubChem:CID56641380
|
Local ready
Direct docking supported
|
|
E3L053802
BDB053802
|
5-[4-(Phenylcarbamoylamino)phenoxy]pentanoic acid
O=C(O)CCCCOc1ccc(NC(=O)Nc2ccccc2)cc1
|
C18H20N2O4 328.368000 |
ZQCXLKSWQURCHL-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353752; PubChem:CID54753639
|
Local ready
Direct docking supported
|
|
E3L053803
BDB053803
|
BDBM50353753
CC(C)(CCCOc1ccc(/N=N/c2ccccc2)cc1)C(=O)O
|
C19H22N2O3 326.396000 |
OPDJXWIVOBMQMQ-QZQOTICOSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50353753
|
Local ready
Direct docking supported
|
|
E3L053804
BDB053804
|
5-(2-Methoxy-4-prop-2-enylphenoxy)pentanoic acid
C=CCc1ccc(OCCCCC(=O)O)c(OC)c1
|
C15H20O4 264.321000 |
XMNHSOLMSYKKEX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353754; PubChem:CID54753638
|
Local ready
Direct docking supported
|
|
E3L053805
BDB053805
|
BDBM50353755
C=CCc1ccc(OCCCC(C)(C)C(=O)O)c(OC)c1
|
C17H24O4 292.375000 |
NDTUOCYUAMWQHS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353755; PubChem:CID54753641
|
Local ready
Direct docking supported
|
|
E3L053806
BDB053806
|
5-[4-[(E)-2-phenylethenyl]phenoxy]pentanoic acid
O=C(O)CCCCOc1ccc(/C=C/c2ccccc2)cc1
|
C19H20O3 296.366000 |
RDDWSPQQHUIGAG-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353756; PubChem:CID56641774
|
Local ready
Direct docking supported
|
|
E3L053807
BDB053807
|
BDBM50353757
CC(C)(CCCOc1ccc(/C=C/c2ccccc2)cc1)C(=O)O
|
C21H24O3 324.420000 |
VGNDLTSULCNHGL-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353757; PubChem:CID54753640
|
Local ready
Direct docking supported
|
|
E3L053808
BDB053808
|
5-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]pentanoic acid
O=C(O)CCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1
|
C20H20O4 324.376000 |
XGRCGOFPRQWTTC-NTEUORMPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353758; PubChem:CID56641248
|
Local ready
Direct docking supported
|
|
E3L053809
BDB053809
|
BDBM50353759
CC(C)(CCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1)C(=O)O
|
C22H24O4 352.430000 |
VRODXMLUAWDDNZ-NTEUORMPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50353759; PubChem:CID56641379
|
Local ready
Direct docking supported
|
|
E3L053810
BDB053810
|
BDBM50354168
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC(CO)CC3)c(O)cc(O)c12
|
C22H23NO6 397.427000 |
YWKNDUOUXKTDLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50354168; PubChem:CID53484136
|
Local ready
Direct docking supported
|
|
E3L053811
BDB053811
|
BDBM50354357
Nc1ncnc2sc3c(c12)CCCC3
|
C10H11N3S 205.286000 |
QXPQVUQBEBHHQP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50354357; PubChem:CID258149
|
Local ready
Direct docking supported
|
|
E3L053812
BDB053812
|
Infigratinib
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1
|
C26H31Cl2N7O3 560.486000 |
QADPYRIHXKWUSV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355393; PubChem:CID53235510
|
Local ready
Direct docking supported
|
|
E3L053813
BDB053813
|
BDBM50355464
COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC
|
C15H16N6O2 312.333000 |
VSNJCPXJAHKLRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355464; PubChem:CID56595558
|
Local ready
Direct docking supported
|
|
E3L053814
BDB053814
|
BDBM50355465
COc1ccccc1Nc1nc(N)n(-c2ccccn2)n1
|
C14H14N6O 282.307000 |
FELCCLMGXTVEGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355465; PubChem:CID56595687
|
Local ready
Direct docking supported
|
|
E3L053815
BDB053815
|
BDBM50355466
Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
|
C13H11ClN6 286.726000 |
KIUVCQMGYRAZME-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355466; PubChem:CID56595688
|
Local ready
Direct docking supported
|
|
E3L053816
BDB053816
|
BDBM50355467
COc1ccc(N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1
|
C18H21N7O2 367.413000 |
WPFRNEQAKJNVPZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355467; PubChem:CID56595689
|
Local ready
Direct docking supported
|
|
E3L053817
BDB053817
|
BDBM50355468
Nc1nc(Nc2cc(N3CCOCC3)ccc2F)nn1-c1ccccn1
|
C17H18FN7O 355.377000 |
GXJJTQDCWLONOL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355468; PubChem:CID56595690
|
Local ready
Direct docking supported
|
|
E3L053818
BDB053818
|
BDBM50355469
N#Cc1ccc(-n2nc(Nc3ccccc3Cl)nc2N)nc1
|
C14H10ClN7 311.736000 |
QYZYODZZZGIMSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355469; PubChem:CID56595691
|
Local ready
Direct docking supported
|
|
E3L053819
BDB053819
|
BDBM50355470
COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1
|
C19H20N8O2 392.423000 |
XDLZXQLBNFDCPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355470; PubChem:CID56658543
|
Local ready
Direct docking supported
|
|
E3L053820
BDB053820
|
BDBM50355479
COc1ccccc1Nc1nc(N)n(-c2cc(NCCN(C)C)ncn2)n1
|
C17H23N9O 369.433000 |
XCHZMPYWMULFBJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50355479; PubChem:CID56595693
|
Local ready
Direct docking supported
|