| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030521
BDB030521
|
US20230271937, Example A7-30
NC(=O)CN1CC[C@@H](CNc2ncnc(N(CCF)Cc3ccc(C(F)F)cc3)c2F)[C@H](O)C1
|
C22H28F4N6O2 484.498000 |
KEFSSKSXVLGYII-DLBZAZTESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614872; PubChem:CID168678314
|
Local ready
Direct docking supported
|
|
E3L030522
BDB030522
|
BDBM614873
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)cc3)[C@H]3C[C@H](F)C3)c2F)[C@H](O)C1
|
C24H30F4N6O2 510.536000 |
KZXRNTUGXQELEJ-CADBVGFASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM614873
|
Local ready
Direct docking supported
|
|
E3L030523
BDB030523
|
BDBM614874
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)cc3)[C@H]3C[C@@H](F)C3)c2F)[C@H](O)C1
|
C24H30F4N6O2 510.536000 |
KZXRNTUGXQELEJ-INDMIFKZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM614874
|
Local ready
Direct docking supported
|
|
E3L030524
BDB030524
|
US20230271937, Example A7-34
CC(c1ccc(C(F)F)cc1)N(c1ncnc(NCC2CCN(CC(N)=O)CC2)c1F)C1CC1
|
C24H31F3N6O 476.547000 |
CMSRTYPDNLELPJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614875; PubChem:CID168678316
|
Local ready
Direct docking supported
|
|
E3L030525
BDB030525
|
US20230271937, Example A7-35
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)CC1
|
C22H27F4N7O 481.498000 |
OCVMNGRDPYSLFQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614876; PubChem:CID156497179
|
Local ready
Direct docking supported
|
|
E3L030526
BDB030526
|
US20230271937, Example A7-36
N#Cc1cccc(CN(c2ncnc(NCC3CCN(CC(N)=O)CC3)c2F)C2CC2)c1
|
C23H28FN7O 437.523000 |
IKCJUCMTLBWNQA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614877; PubChem:CID156497103
|
Local ready
Direct docking supported
|
|
E3L030527
BDB030527
|
US20230271937, Example A7-38
NC(=O)CN1CCC(CNc2ncnc(N(Cc3cccc(-n4cncn4)c3)C3CC3)c2F)CC1
|
C24H30FN9O 479.564000 |
XNQHXZUIUUDCRL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614879; PubChem:CID156497049
|
Local ready
Direct docking supported
|
|
E3L030528
BDB030528
|
US20230271937, Example A7-39
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)F)cc3)C3CC3)c2F)CC1
|
C23H29F3N6O 462.520000 |
XECNQNQMKDQXSE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614880; PubChem:CID168678317
|
Local ready
Direct docking supported
|
|
E3L030529
BDB030529
|
US20230271937, Example A7-40
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C23H29F3N6O2 478.519000 |
FMYBHGMIHDYCTM-FUHWJXTLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614881; PubChem:CID168678318
|
Local ready
Direct docking supported
|
|
E3L030530
BDB030530
|
US20230271937, Example A7-41
CC1(N(Cc2ccc(C(F)F)cc2)c2ncnc(NC[C@@H]3CCN(CC(N)=O)C[C@H]3O)c2F)CC1
|
C24H31F3N6O2 492.546000 |
NZFNYDMRKKMILC-ZWKOTPCHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614882; PubChem:CID168678319
|
Local ready
Direct docking supported
|
|
E3L030531
BDB030531
|
US20230271937, Example A7-42
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(OC(F)F)cc3F)C3CC3)c2F)[C@H](O)C1
|
C23H28F4N6O3 512.508000 |
PLIRCAQQMJOASJ-SCLBCKFNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614883; PubChem:CID156511722
|
Local ready
Direct docking supported
|
|
E3L030532
BDB030532
|
US20230271937, Example A7-43
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(OC(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C23H29F3N6O3 494.518000 |
YZNQMRRFXQEZEZ-MAUKXSAKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614884; PubChem:CID156511723
|
Local ready
Direct docking supported
|
|
E3L030533
BDB030533
|
US20230271937, Example A7-44
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(C(N)=O)CC1
|
C24H29F4N7O2 523.535000 |
HYVQLFFXWBVZNG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614885; PubChem:CID156496929
|
Local ready
Direct docking supported
|
|
E3L030534
BDB030534
|
US20230271937, Example A7-45
NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)nc3)C3CC3)c2F)CC1
|
C23H29F4N7O2 511.524000 |
JGXQXPDPMJSDCU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614886; PubChem:CID156497067
|
Local ready
Direct docking supported
|
|
E3L030535
BDB030535
|
US20230271937, Example A7-46
Cc1cc(C(F)(F)F)c(C)cc1CN(c1ncnc(NCC2CCN(CC(N)=O)CC2)c1F)C1CC1
|
C25H32F4N6O 508.564000 |
DQYMHLYQDYQFNF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614887; PubChem:CID168678320
|
Local ready
Direct docking supported
|
|
E3L030536
BDB030536
|
US20230271937, Example A7-47
Cc1ccc(C)c(CN(c2ncnc(NCC3CCN(CC(N)=O)CC3)c2F)C2CC2)c1
|
C24H33FN6O 440.567000 |
HIEKNNJZABEPCE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614888; PubChem:CID156497033
|
Local ready
Direct docking supported
|
|
E3L030537
BDB030537
|
US20230271937, Example A7-50
N#CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)CC1
|
C24H27F4N7O 505.520000 |
XJKJIPOJZLXZRM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614891; PubChem:CID156497115
|
Local ready
Direct docking supported
|
|
E3L030538
BDB030538
|
US20230271937, Example A7-51
NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1
|
C24H30F4N6O2 510.536000 |
CSQFYHCSIRXGNP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614892; PubChem:CID156496999
|
Local ready
Direct docking supported
|
|
E3L030539
BDB030539
|
US20230271937, Example A7-52
NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)CC1
|
C23H29F4N7O2 511.524000 |
YPAVRBLZIGVBOA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614893; PubChem:CID156497120
|
Local ready
Direct docking supported
|
|
E3L030540
BDB030540
|
US20230271937, Example A7-53
Cc1cc(CN(c2ncnc(NCC3CCN(CC(N)=O)CC3)c2F)C2CC2)cc(C)c1C(F)(F)F
|
C25H32F4N6O 508.564000 |
KUSUEYFDVFGYDT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614894; PubChem:CID168678321
|
Local ready
Direct docking supported
|