| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043761
BDB043761
|
BDBM50012931
CCCCC(O)[C@H](CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(C)cn12
|
C24H39N5O2 429.609000 |
PCEISYOWIKYGIT-BGERDNNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012931; PubChem:CID44314473
|
Local ready
Direct docking supported
|
|
E3L043762
BDB043762
|
BDBM50012932
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cccnc3)C(=O)NC(=O)C[C@H](O)[C@H](CC3CCCCC3)NC(=O)C(CC(C)C)NCCCC(=O)O)nnc12
|
C44H60N8O6 797.014000 |
TWQGTFGLTMPWOW-XSYXHTQASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012932
|
Local ready
Direct docking supported
|
|
E3L043763
BDB043763
|
BDBM50012933
CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)NC(=O)CC(O)C(CC3CCCCC3)NC(=O)C(CC(C)C)NCc3ccccn3)nnc12
|
C40H54N8O4 710.924000 |
QFBCRFJNIHWTMF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012933
|
Local ready
Direct docking supported
|
|
E3L043764
BDB043764
|
BDBM50012934
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cnc[nH]3)C(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12
|
C36H49N7O2 611.835000 |
NNBHDRJEVSYTPI-PDVTVRNYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012934; PubChem:CID44314483
|
Local ready
Direct docking supported
|
|
E3L043765
BDB043765
|
BDBM50012935
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12
|
C30H42N6O2 518.706000 |
MUSPXWAEHIUMGX-GMMLNUAGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012935; PubChem:CID44314498
|
Local ready
Direct docking supported
|
|
E3L043766
BDB043766
|
BDBM50012936
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)N(C)CCN(C)C)C(C)C)nnc12
|
C41H59N9O3 725.983000 |
MANLQMSVKREPRE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012936
|
Local ready
Direct docking supported
|
|
E3L043767
BDB043767
|
BDBM50012937
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN(C)C)C(C)C)nnc12
|
C40H57N9O3 711.956000 |
AYLQFSBXZTZHLQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012937
|
Local ready
Direct docking supported
|
|
E3L043768
BDB043768
|
BDBM50012938
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCCCO)C(C)C)nnc12
|
C40H56N8O4 712.940000 |
HNAYFFARTYTQQH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012938
|
Local ready
Direct docking supported
|
|
E3L043769
BDB043769
|
BDBM50012939
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCc3ccccn3)C(C)C)nnc12
|
C42H53N9O3 731.946000 |
RBOBSWNSXTXCCX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012939
|
Local ready
Direct docking supported
|
|
E3L043770
BDB043770
|
BDBM50012940
CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(-c3ccccc3)cn12)C(C)C
|
C36H54N6O3 618.867000 |
OWVGVLMQBILCMY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012940; PubChem:CID14787980
|
Local ready
Direct docking supported
|
|
E3L043771
BDB043771
|
BDBM50012941
CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C
|
C34H51N7O3 605.828000 |
XCHUDICJLCLMFI-SNKUFMAISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012941; PubChem:CID44315276
|
Local ready
Direct docking supported
|
|
E3L043772
BDB043772
|
BDBM50012942
CCCCN(C)C(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C
|
C41H58N8O3 710.968000 |
NRFWVRGKWGXAIV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012942
|
Local ready
Direct docking supported
|
|
E3L043773
BDB043773
|
BDBM50012943
CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C
|
C34H51N7O3 605.828000 |
XCHUDICJLCLMFI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012943; PubChem:CID14787982
|
Local ready
Direct docking supported
|
|
E3L043774
BDB043774
|
BDBM50012944
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN3CCNCC3)C(C)C)nnc12
|
C42H60N10O3 753.009000 |
NAKCUPOFVUSMGI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012944
|
Local ready
Direct docking supported
|
|
E3L043775
BDB043775
|
BDBM50012945
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN)C(C)C)nnc12
|
C38H53N9O3 683.902000 |
VWEJKKZJZMBHBR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012945
|
Local ready
Direct docking supported
|
|
E3L043776
BDB043776
|
BDBM50012946
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN3CCOCC3)C(C)C)nnc12
|
C42H59N9O4 753.993000 |
BLFUASLRZDWGFS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012946
|
Local ready
Direct docking supported
|
|
E3L043777
BDB043777
|
BDBM50012947
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)N3CCOCC3)C(C)C)nnc12
|
C40H54N8O4 710.924000 |
SVXGRTDZJUZDQA-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012947
|
Local ready
Direct docking supported
|
|
E3L043778
BDB043778
|
BDBM50012949
CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
|
C38H51N5O7 689.854000 |
NQXSBCTYTMQGGJ-WNGLXCJBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012949
|
Local ready
Direct docking supported
|
|
E3L043779
BDB043779
|
BDBM50012950
CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
|
C35H47N5O7 649.789000 |
LAQXJGUAIIHFMN-LZYAHJOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012950; PubChem:CID44324673
|
Local ready
Direct docking supported
|
|
E3L043780
BDB043780
|
BDBM50012951
CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
|
C38H51N5O7 689.854000 |
NQXSBCTYTMQGGJ-ICAZUDSDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012951; PubChem:CID6918046
|
Local ready
Direct docking supported
|