| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049041
BDB049041
|
BDBM50230157
O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2)CO1
|
C37H55N5O9 713.873000 |
AOCZYEHUBSKDRN-FRQMKGBUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50230157
|
Local ready
Direct docking supported
|
|
E3L049042
BDB049042
|
7~]Nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-YL)carbamate
COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1
|
C28H26ClN9O4 588.028000 |
LCHKINZSWVDWJQ-XYWZPVONSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50230322; PubChem:CID66744646
|
Local ready
Direct docking supported
|
|
E3L049043
BDB049043
|
BDBM50230366
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
|
C33H56N4O8 636.831000 |
IKAWNXSCDNJDJY-WXMZZAACSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50230366
|
Local ready
Direct docking supported
|
|
E3L049044
BDB049044
|
BDBM50230367
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
|
C33H56N4O8 636.831000 |
IKAWNXSCDNJDJY-PSWCNGLWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50230367
|
Local ready
Direct docking supported
|
|
E3L049045
BDB049045
|
BDBM50230581
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[S+](C)[O-]
|
C40H51N3O5S 685.931000 |
RMMRRARTMXNOIH-DMGIEUFRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50230581; PubChem:CID15177204
|
Local ready
Direct docking supported
|
|
E3L049046
BDB049046
|
BDBM50230692
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C
|
C76H117N25O18 1668.929000 |
BYPASTJUAGHHBB-XCGXVIJNSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230692; PubChem:CID171347859
|
Local ready
Direct docking supported
|
|
E3L049047
BDB049047
|
BDBM50230693
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)O
|
C80H115N21O21S2 1771.060000 |
NXMVDCUVCHPNFZ-YYZLBNHFSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230693; PubChem:CID171342381
|
Local ready
Direct docking supported
|
|
E3L049048
BDB049048
|
Ac-Trp-Arg-Val-Pro-OH
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
|
C29H42N8O6 598.705000 |
BLQKHFKOFAARAK-ZJZGAYNASA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230695; PubChem:CID122705790
|
Local ready
Direct docking supported
|
|
E3L049049
BDB049049
|
BDBM50230696
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC
|
C110H177N27O31S 2405.851000 |
ZTAXIZZPSKQLBS-YUIMBCMTSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50230696
|
Local ready
Direct docking supported
|
|
E3L049050
BDB049050
|
H-Met-Ser-Trp-Arg-Val-Pro-OH
CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
|
C35H54N10O8S 774.946000 |
WSFQBKFJICQRDF-LSXSSXCESA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230697; PubChem:CID171344140
|
Local ready
Direct docking supported
|
|
E3L049051
BDB049051
|
H-Ser-Trp-Arg-Val-Pro-OH
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)O
|
C30H45N9O7 643.746000 |
NKVIJWXHIRNCSG-DUSBTPNUSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230698; PubChem:CID171351035
|
Local ready
Direct docking supported
|
|
E3L049052
BDB049052
|
BDBM50230699
O=C1Cc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1
|
C19H18ClN3O5 403.822000 |
HYVGIYUMYNDTLT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230699; PubChem:CID132486797
|
Local ready
Direct docking supported
|
|
E3L049053
BDB049053
|
BCL6-IN-8c
O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1
|
C20H20ClN3O5 417.849000 |
RRELDGDKULRRDM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50230700; PubChem:CID131801156
|
Local ready
Direct docking supported
|
|
E3L049054
BDB049054
|
BDBM50231507
CCCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C32H41NO4 503.683000 |
GUFHDBFHNDUDJA-GXJYFLSQSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50231507; PubChem:CID25243830
|
Local ready
Direct docking supported
|
|
E3L049055
BDB049055
|
BDBM50231513
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)O
|
C30H37NO4 475.629000 |
ZJCRQDAZZZBPKA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50231513; PubChem:CID24890333
|
Local ready
Direct docking supported
|
|
E3L049056
BDB049056
|
BDBM50231831
Cc1cccc(F)c1CN1C[C@H](c2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2)[C@@H](N(C)C)C1
|
C30H36F2N4O2S 554.707000 |
OVVCKHWAFREJPO-DGPALRBDSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231831; PubChem:CID137642207
|
Local ready
Direct docking supported
|
|
E3L049057
BDB049057
|
BDBM50231832
CNC(=O)C1CCN(c2ccc([C@H]3CN(Cc4c(C)cccc4F)C[C@@H]3N(C)C)cc2)CC1
|
C27H37FN4O 452.618000 |
WHKSEYYFCPJUSL-RSXGOPAZSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231832; PubChem:CID137633269
|
Local ready
Direct docking supported
|
|
E3L049058
BDB049058
|
BDBM50231833
CC(=O)N[C@H]1CCN(c2ccc([C@H]3CN(Cc4c(C)cccc4F)C[C@@H]3N(C)C)cc2)C1
|
C26H35FN4O 438.591000 |
BWCLBTGVKLJLJZ-NZJKTDFXSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231833; PubChem:CID137643251
|
Local ready
Direct docking supported
|
|
E3L049059
BDB049059
|
BDBM50231834
CC(=O)NC1CCN(c2ccc([C@H]3CN(Cc4c(C)cccc4F)C[C@@H]3N(C)C)cc2)CC1
|
C27H37FN4O 452.618000 |
DBWWMSJPXUQEBS-VPUSJEBWSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231834; PubChem:CID137637446
|
Local ready
Direct docking supported
|
|
E3L049060
BDB049060
|
BDBM50231835
Cc1cccc(F)c1CN1C[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)[C@@H](N(C)C)C1
|
C30H37FN4 472.652000 |
PTVLTDYMVNDTHD-DGPALRBDSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231835; PubChem:CID137638056
|
Local ready
Direct docking supported
|