| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065551
LIG000121
|
DS70
CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCC[C@H]3CCO)nc21
|
C27H33N7O 471.609000 |
BMTQXXRDGKDPNW-QFIPXVFZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1599
|
Local ready
Direct docking supported
|
|
E3L065552
LIG000122
|
cmp71
O=C1CCC(N2Cc3c(OCc4ccc(C(=O)N5CCN(c6ccc(Cl)cc6Cl)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H28Cl2N4O5 607.494000 |
BOAOHVCBZSRYGA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1099
|
Local ready
Direct docking supported
|
|
E3L065553
LIG000123
|
CQ627
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(F)cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C36H27F4N7O4 697.649000 |
BODASLVEZBWITD-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB671
|
Local ready
Direct docking supported
|
|
E3L065554
LIG000124
|
T5
O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCc4ccccc4)c3C2=O)C(=O)N1
|
C26H28N2O8 496.516000 |
BODHZOIJSGZFKE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB987
|
Local ready
Direct docking supported
|
|
E3L065555
LIG000125
|
Cpd. 2(MRT-10350)
CSc1ccc(C2(NC(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CCOC2)cc1
|
C25H26N4O5S 494.573000 |
BOMPKTSIIWUGEH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB755
|
Local ready
Direct docking supported
|
|
E3L065556
LIG000126
|
LYG-406
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cc(Cl)ccc5OC4)ccc3C2=O)C(=O)N1
|
C24H20ClN3O5 465.893000 |
BPCRBTRGZUSQMV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1349
|
Local ready
Direct docking supported
|
|
E3L065557
LIG000127
|
5
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCCO)nc12
|
C20H23N7OS 409.519000 |
BPNKLLKSLWWBAE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB149
|
Local ready
Direct docking supported
|
|
E3L065558
LIG000128
|
dCeMM4
Cc1ccc(C(=O)N2CSCC2C(=O)Nc2ncc(C)s2)o1
|
C14H15N3O3S2 337.426000 |
BPWZJVKIVHVVHP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB318
|
Local ready
Direct docking supported
|
|
E3L065560
LIG000130
|
dALK-10-neg
CCc1cc2c(cc1N1CCC(N3CCN(C(=O)CCC(=O)c4ccc(OC)cc4)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C41H45N5O4 671.842000 |
BQKOGLJHRVFVGA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1429
|
Local ready
Direct docking supported
|
|
E3L065561
LIG000131
|
I7
Cc1ccc(-n2nc(C(N)=O)c(=O)n(Cc3ccccc3)c2=O)cc1C
|
C19H18N4O3 350.378000 |
BQNLBWYFNNIYQD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB331
|
Local ready
Direct docking supported
|
|
E3L065562
LIG000132
|
26
CC[C@H](CO)Nc1nc(NCc2ccc(C3=CCCC3)cc2)c2ncn(C(C)C)c2n1
|
C24H32N6O 420.561000 |
BQQCKLBSVCHALF-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB209
|
Local ready
Direct docking supported
|
|
E3L065563
LIG000133
|
9
O=C1CCC(N2Cc3cc(NC(=O)c4ccc5ccccc5c4)ccc3C2=O)C(=O)N1
|
C24H19N3O4 413.433000 |
BQQPXXCYYWRWRG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1195
|
Local ready
Direct docking supported
|
|
E3L065565
LIG000135
|
10
O=C1CCC(N2Cc3cc(NCc4cccc5ccccc45)ccc3C2=O)C(=O)N1
|
C24H21N3O3 399.450000 |
BQTWUQDXEUWZAJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1218
|
Local ready
Direct docking supported
|
|
E3L065566
LIG000136
|
9f
Nc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C19H17N3O3 335.363000 |
BQVZGSBZUBUHED-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1380
|
Local ready
Direct docking supported
|
|
E3L065567
LIG000137
|
QXG-6442
O=C1CCC(N2Cc3cc(NC(=O)c4cn5ccccc5n4)ccc3C2=O)C(=O)N1
|
C21H17N5O4 403.398000 |
BRBLKCQDZREHRF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1069
|
Local ready
Direct docking supported
|
|
E3L065569
LIG000139
|
DS16
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1
|
C25H30N6O 430.556000 |
BRJSFOFBYVFKCP-OAQYLSRUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB203
|
Local ready
Direct docking supported
|
|
E3L065571
LIG000141
|
12
O=C1CCC(N2Cc3cc(NCc4cccc5c4oc4ccccc45)ccc3C2=O)C(=O)N1
|
C26H21N3O4 439.471000 |
BRMZZAJVPKDLAQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1220
|
Local ready
Direct docking supported
|
|
E3L065572
LIG000142
|
cmp20a
O=C1CC(NC(=O)OCC2CCCN2)C(=O)N1
|
C10H15N3O4 241.247000 |
BROVZDKFOULGAP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB857
|
Local ready
Direct docking supported
|
|
E3L065573
LIG000143
|
20
O=C1CCC(N2Cc3cc(Nc4cnc5ccccn45)ccc3C2=O)C(=O)N1
|
C20H17N5O3 375.388000 |
BSDDYEGUSIPCLX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1078
|
Local ready
Direct docking supported
|
|
E3L065574
LIG000144
|
Roscovitine
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
|
C19H26N6O 354.458000 |
BTIHMVBBUGXLCJ-OAHLLOKOSA-N | O14965, O95835, P51948, Q92630 | Serine/threonine-protein kinase LATS1, Cyclin-H, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Aurora kinase A |
BindingDB, MolGlueDB
BindingDB:BDBM7533; MolGlueDB:MGDB225
|
Local ready
Direct docking supported
|