| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050921
BDB050921
|
1-Naphthylamine
Nc1cccc2ccccc12
|
C10H9N 143.189000 |
RUFPHBVGCFYCNW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50282489; PubChem:CID8640
|
Local ready
Direct docking supported
|
|
E3L050922
BDB050922
|
N-(4-hydroxynaphthalen-1-yl)methanesulfonamide
CS(=O)(=O)Nc1ccc(O)c2ccccc12
|
C11H11NO3S 237.280000 |
YIHVEMGCWOYDLG-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50282490; PubChem:CID7574135
|
Local ready
Direct docking supported
|
|
E3L050923
BDB050923
|
4-Amino-3-methoxynaphthalen-1-ol
COc1cc(O)c2ccccc2c1N
|
C11H11NO2 189.214000 |
JIUMVMXXQIQAKP-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50282492; PubChem:CID145954899
|
Local ready
Direct docking supported
|
|
E3L050924
BDB050924
|
N-(4-hydroxynaphthalen-1-yl)-2-phenylacetamide
O=C(Cc1ccccc1)Nc1ccc(O)c2ccccc12
|
C18H15NO2 277.323000 |
BQXXPSYHLAIXNJ-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50282493; PubChem:CID145957556
|
Local ready
Direct docking supported
|
|
E3L050925
BDB050925
|
BDBM50282596
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCC(=O)O
|
C40H56N4O9S 768.974000 |
AMIZGVJLOOQAEV-ZTLDWJDHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282596
|
Local ready
Direct docking supported
|
|
E3L050926
BDB050926
|
BDBM50282597
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)CSc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C43H60N8O6S 817.070000 |
IFRIKYZYDZSYCR-SZHYKVQFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282597
|
Local ready
Direct docking supported
|
|
E3L050927
BDB050927
|
BDBM50282598
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2cnccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C42H58N8O6S 803.043000 |
FXJVVUMDPYPBBU-RRNXAADDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282598
|
Local ready
Direct docking supported
|
|
E3L050928
BDB050928
|
BDBM50282599
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCCn1ccnc1
|
C43H60N6O7S 805.055000 |
LHCRFTLKLIYKTG-IYZVUASDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282599
|
Local ready
Direct docking supported
|
|
E3L050929
BDB050929
|
BDBM50282600
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCn1ccnc1
|
C41H56N6O7S 777.001000 |
NSOBJSHXZLHPGH-TZYWOTFASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282600
|
Local ready
Direct docking supported
|
|
E3L050930
BDB050930
|
BDBM50282601
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)COc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C42H58N8O7 786.975000 |
SCQMRTUMHGZDGV-RRNXAADDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282601
|
Local ready
Direct docking supported
|
|
E3L050931
BDB050931
|
BDBM50282602
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ncccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C42H58N8O6S 803.043000 |
NSORIBLJGXKBTF-RRNXAADDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282602
|
Local ready
Direct docking supported
|
|
E3L050932
BDB050932
|
BDBM50282603
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C42H58N6O7S 791.028000 |
GFFKPJWVOXRRTB-OINPDUSQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282603
|
Local ready
Direct docking supported
|
|
E3L050933
BDB050933
|
BDBM50282604
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCc1cccnc1
|
C44H59N5O7S 802.051000 |
KYIBUVXNUCEQEN-LUIGENPXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282604
|
Local ready
Direct docking supported
|
|
E3L050934
BDB050934
|
BDBM50282605
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C42H58N8O6S 803.043000 |
FFXNCKJLOJZZAT-RRNXAADDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282605
|
Local ready
Direct docking supported
|
|
E3L050935
BDB050935
|
BDBM50282606
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CS(=O)(=O)c2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C42H58N8O8S 835.041000 |
JAXWKXQCOJCWAH-RRNXAADDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282606
|
Local ready
Direct docking supported
|
|
E3L050936
BDB050936
|
BDBM50282607
CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21
|
C41H60N4O7S 753.019000 |
HSSYKSRRUQUMKZ-TZYWOTFASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282607
|
Local ready
Direct docking supported
|
|
E3L050937
BDB050937
|
BDBM50282608
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
|
C42H61N5O8S 796.044000 |
HSBFPNJJFXWUSD-OINPDUSQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282608
|
Local ready
Direct docking supported
|
|
E3L050938
BDB050938
|
BDBM50282609
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCN(C)C
|
C41H61N5O7S 768.034000 |
HWCYPEFIPSPMQP-TZYWOTFASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282609
|
Local ready
Direct docking supported
|
|
E3L050939
BDB050939
|
BDBM50282610
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CSc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
|
C41H56N8O6S 789.016000 |
WFZIEOXNRIZYBW-TUCRWICHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282610
|
Local ready
Direct docking supported
|
|
E3L050940
BDB050940
|
8-Aminoisoquinolin-5-ol
Nc1ccc(O)c2ccncc12
|
C9H8N2O 160.176000 |
BCIFJDGSMDSLLM-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50282619; PubChem:CID13374635
|
Local ready
Direct docking supported
|