| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051921
BDB051921
|
BDBM50311790
CCCCOc1ccc(-c2cc(C(=O)O)ccc2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F
|
C27H25F4NO4 503.492000 |
FULWKFKPUMGENO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50311790; PubChem:CID46880049
|
Local ready
Direct docking supported
|
|
E3L051922
BDB051922
|
BDBM50311792
CCCCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F
|
C27H25F4NO4 503.492000 |
NXGSOYKUJRXNDI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50311792; PubChem:CID46880009
|
Local ready
Direct docking supported
|
|
E3L051923
BDB051923
|
BDBM50311793
CCCCOc1ccc(-c2cccc(C(=O)O)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F
|
C26H23F4NO4 489.465000 |
HCGPTXKJCXPTFR-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50311793; PubChem:CID46879867
|
Local ready
Direct docking supported
|
|
E3L051924
BDB051924
|
BDBM50311796
CC1(C)CNCC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1
|
C33H33Cl3F2N2O2 633.994000 |
NHKGQZOIJVMGNE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311796; PubChem:CID46880061
|
Local ready
Direct docking supported
|
|
E3L051925
BDB051925
|
BDBM50311797
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C2(CC2)CNC1)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C33H31Cl3F2N2O2 631.978000 |
ASDPDWUVPBMSDF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311797; PubChem:CID11445043
|
Local ready
Direct docking supported
|
|
E3L051926
BDB051926
|
BDBM50311798
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)CCNC1)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C31H29Cl3F2N2O2 605.940000 |
LEPZPTOEMLDSMH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311798; PubChem:CID46880060
|
Local ready
Direct docking supported
|
|
E3L051927
BDB051927
|
BDBM50311799
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@H]2CC[C@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C33H31Cl3F2N2O2 631.978000 |
FUPYLBRXZJOVDD-SKCUWOTOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311799; PubChem:CID46880059
|
Local ready
Direct docking supported
|
|
E3L051928
BDB051928
|
BDBM50311800
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@H]2CCC[C@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C34H33Cl3F2N2O2 646.005000 |
ZWGGBJBZHGMPEX-RNWIMVQKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311800; PubChem:CID46880054
|
Local ready
Direct docking supported
|
|
E3L051929
BDB051929
|
BDBM50311801
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@H]2COC[C@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C33H31Cl3F2N2O3 647.977000 |
FBKBJZZYPYOSTA-RBISFHTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311801; PubChem:CID46880053
|
Local ready
Direct docking supported
|
|
E3L051930
BDB051930
|
BDBM50311802
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C(F)(F)CNC1)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C31H27Cl3F4N2O2 641.920000 |
KZRLJNKWCZPQKO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311802; PubChem:CID11365730
|
Local ready
Direct docking supported
|
|
E3L051931
BDB051931
|
BDBM50311803
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@H]2CNC[C@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C33H32Cl3F2N3O2 646.993000 |
SXZFQYPWEANJGQ-RBISFHTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311803; PubChem:CID46880052
|
Local ready
Direct docking supported
|
|
E3L051932
BDB051932
|
BDBM50311804
O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@H]2CS(=O)(=O)C[C@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C33H31Cl3F2N2O4S 696.043000 |
ULNCEZPLMLOWSM-RBISFHTESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50311804
|
Local ready
Direct docking supported
|
|
E3L051933
BDB051933
|
BDBM50311805
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C[C@H]3CNC[C@H]2N3)C2CC2)c1C
|
C35H38ClF2N3O3 622.156000 |
LBNVANDBNOMBKR-SETSBSEESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311805; PubChem:CID46880050
|
Local ready
Direct docking supported
|
|
E3L051934
BDB051934
|
BDBM50311806
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C[C@H]3COC[C@H]2N3)C2CC2)c1C
|
C35H37ClF2N2O4 623.140000 |
XGUNBNDCDWFBAF-SETSBSEESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311806; PubChem:CID46880062
|
Local ready
Direct docking supported
|
|
E3L051935
BDB051935
|
BDBM50311807
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C[C@H]3CCC[C@H]2N3)C2CC2)c1C
|
C36H39ClF2N2O3 621.168000 |
VUZIYEFWZVSMGP-MXBOTTGLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311807; PubChem:CID46880051
|
Local ready
Direct docking supported
|
|
E3L051936
BDB051936
|
BDBM50311808
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C[C@H]3C[S+]([O-])C[C@H]2N3)C2CC2)c1C
|
C35H37ClF2N2O4S 655.207000 |
JVFPNJUQRIUQCH-VCVPUECRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50311808
|
Local ready
Direct docking supported
|
|
E3L051937
BDB051937
|
BDBM50311809
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C[C@H]3CC[C@H]2N3)C2CC2)c1C
|
C35H37ClF2N2O3 607.141000 |
VFOWARSAQYEEOG-FYBSXPHGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311809; PubChem:CID46880063
|
Local ready
Direct docking supported
|
|
E3L051938
BDB051938
|
BDBM50311810
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)CCNC2)C2CC2)c1C
|
C33H35ClF2N2O3 581.103000 |
WMSGXMSFQWCEOR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311810; PubChem:CID46880064
|
Local ready
Direct docking supported
|
|
E3L051939
BDB051939
|
BDBM50311811
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C3(CC3)CNC2)C2CC2)c1C
|
C35H37ClF2N2O3 607.141000 |
MWTQWVAUSOFVSS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311811; PubChem:CID46880058
|
Local ready
Direct docking supported
|
|
E3L051940
BDB051940
|
BDBM50311812
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C(C)(C)CNC2)C2CC2)c1C
|
C35H39ClF2N2O3 609.157000 |
CAKYRTNLEUINCX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50311812; PubChem:CID46880056
|
Local ready
Direct docking supported
|