| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044681
BDB044681
|
BDBM50031612
CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2
|
C24H24N4O3 416.481000 |
CHZHWZAKWGFQNL-DEOSSOPVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50031612; PubChem:CID45256109
|
Local ready
Direct docking supported
|
|
E3L044682
BDB044682
|
Amg-8718
CC1(C#Cc2cnc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1
|
C25H19FN4O3 442.450000 |
GKKFBOARESVMBW-VWLOTQADSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50031613; PubChem:CID45254510
|
Local ready
Direct docking supported
|
|
E3L044683
BDB044683
|
BDBM50032671
Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C
|
C24H29NO2 363.501000 |
SLXTWXQUEZSSTJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50032671; PubChem:CID3922
|
Local ready
Direct docking supported
|
|
E3L044684
BDB044684
|
BDBM50032874
NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1
|
C26H30ClN7O 492.027000 |
IOLSRAXZCKDSPO-FIKGOQFSSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50032874
|
Local ready
Direct docking supported
|
|
E3L044685
BDB044685
|
Pfi-4
COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C
|
C21H24N4O3 380.448000 |
QCIJLRJBZDBVDB-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50032927; PubChem:CID40642506
|
Local ready
Direct docking supported
|
|
E3L044686
BDB044686
|
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1
|
C19H15N3O 301.349000 |
AZNLVBWSZDPKAA-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50033317; PubChem:CID719250
|
Local ready
Direct docking supported
|
|
E3L044687
BDB044687
|
BDBM50035558
Fc1ccccc1C1=Cc2ccccc2C2=NCCN12
|
C17H13FN2 264.303000 |
CRASKXTVWBAFRS-UHFFFAOYSA-N | O75530, Q66K64 | DDB1- and CUL4-associated factor 15, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50035558; PubChem:CID10015659
|
Local ready
Direct docking supported
|
|
E3L044688
BDB044688
|
BDBM50036971
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCc1ccncc1)C(C)C
|
C43H67N5O6 750.038000 |
RKLFVAQTVCZJCS-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036971
|
Local ready
Direct docking supported
|
|
E3L044689
BDB044689
|
BDBM50036972
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(N)=O)C(C)C
|
C40H67N5O8 746.003000 |
GWUNJUMKILZYGX-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036972
|
Local ready
Direct docking supported
|
|
E3L044690
BDB044690
|
BDBM50036973
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN1CCOCC1)C(C)C
|
C43H73N5O7 772.085000 |
YCNOPQUENLJLNF-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036973
|
Local ready
Direct docking supported
|
|
E3L044691
BDB044691
|
BDBM50036974
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(N)=NC#N)C(C)C
|
C41H67N7O7 770.029000 |
CXAHVCPUQJPCIN-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036974
|
Local ready
Direct docking supported
|
|
E3L044692
BDB044692
|
BDBM50036975
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCN)C(C)C
|
C40H68N4O7 717.005000 |
XLRKCJWLCJXIIN-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036975
|
Local ready
Direct docking supported
|
|
E3L044693
BDB044693
|
BDBM50036976
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCc1ccccn1)C(C)C
|
C44H69N5O6 764.065000 |
RPQFOGSNYUPJAG-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036976
|
Local ready
Direct docking supported
|
|
E3L044694
BDB044694
|
BDBM50036977
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(N)=NC#N)C(C)C
|
C42H69N7O7 784.056000 |
WQUQYPOZTJXRHO-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036977
|
Local ready
Direct docking supported
|
|
E3L044695
BDB044695
|
BDBM50036978
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(N)=S)C(C)C
|
C41H69N5O7S 776.098000 |
RINJQKRQICOGFY-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036978
|
Local ready
Direct docking supported
|
|
E3L044696
BDB044696
|
BDBM50036979
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(=NC#N)SC)C(C)C
|
C43H70N6O7S 815.135000 |
YWAYOYLOKCMYQB-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036979
|
Local ready
Direct docking supported
|
|
E3L044697
BDB044697
|
BDBM50036980
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC[N+]1([O-])CCOCC1)C(C)C
|
C43H73N5O8 788.084000 |
RCEBURKPGKGOHV-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036980
|
Local ready
Direct docking supported
|
|
E3L044698
BDB044698
|
BDBM50036981
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(C)(C)N1CCOCC1)C(C)C
|
C45H77N5O7 800.139000 |
FSWKVLMGGQICRS-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036981
|
Local ready
Direct docking supported
|
|
E3L044699
BDB044699
|
BDBM50036982
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC[N+]1([O-])CCOCC1)C(C)C
|
C44H75N5O8 802.111000 |
NQWDFBBAJJYDSQ-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036982
|
Local ready
Direct docking supported
|
|
E3L044700
BDB044700
|
BDBM50036983
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCCN)C(C)C
|
C41H70N4O7 731.032000 |
LIWYFJFTERWJHA-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036983
|
Local ready
Direct docking supported
|