| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000301
BDB000301
|
BDBM17994
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cccc(Cl)c1)O2
|
C25H27ClN6O3 494.983000 |
GSVXELNDGOHLPO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17994; PubChem:CID23647891
|
Local ready
Direct docking supported
|
|
E3L000302
BDB000302
|
BDBM17995
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cc(F)ccc1F)O2
|
C25H26F2N6O3 496.518000 |
KJGSLJURFWWLOL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17995; PubChem:CID23647892
|
Local ready
Direct docking supported
|
|
E3L000303
BDB000303
|
BDBM17996
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(c1ccccc1)O2
|
C25H28N6O3 460.538000 |
UQHQDWYHACOCCN-VWLOTQADSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17996; PubChem:CID23647893
|
Local ready
Direct docking supported
|
|
E3L000304
BDB000304
|
BDBM17997
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@@](C)(c1ccccc1)O2
|
C25H28N6O3 460.538000 |
UQHQDWYHACOCCN-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17997; PubChem:CID23647894
|
Local ready
Direct docking supported
|
|
E3L000305
BDB000305
|
BDBM17998
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C24H25F2N5O3 469.492000 |
BZQDCQHUEYPQIB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17998; PubChem:CID23647895
|
Local ready
Direct docking supported
|
|
E3L000306
BDB000306
|
BDBM17999
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C23H23F2N5O3 455.465000 |
CAJZACFJOXOVAH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17999; PubChem:CID23647896
|
Local ready
Direct docking supported
|
|
E3L000307
BDB000307
|
BDBM18000
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H27F2N5O3 483.519000 |
NAJFOBIBNBUZAN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18000; PubChem:CID23647897
|
Local ready
Direct docking supported
|
|
E3L000308
BDB000308
|
BDBM18001
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)CO)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H26F2N6O4 512.517000 |
AHPZPEPKIIZAJI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18001; PubChem:CID23647898
|
Local ready
Direct docking supported
|
|
E3L000309
BDB000309
|
BDBM18002
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCC(=O)NC)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H26F2N6O3 496.518000 |
YHWFSBOTUBZNFO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18002; PubChem:CID23647899
|
Local ready
Direct docking supported
|
|
E3L000310
BDB000310
|
BDBM18003
CCNC(=O)CN1C(=O)C(C)(c2cc(F)cc(F)c2)Oc2ccc(-c3c(N)nc(N)nc3CC)cc21
|
C25H26F2N6O3 496.518000 |
YSDAMWLCNDERLC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18003; PubChem:CID23647900
|
Local ready
Direct docking supported
|
|
E3L000311
BDB000311
|
BDBM18004
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNS(C)(=O)=O)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C24H26F2N6O4S 532.573000 |
WAMCIKGNVJZNAS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18004; PubChem:CID23647901
|
Local ready
Direct docking supported
|
|
E3L000312
BDB000312
|
BDBM18005
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)OC)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H26F2N6O4 512.517000 |
MNEZWRIUOPOINT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18005; PubChem:CID23647902
|
Local ready
Direct docking supported
|
|
E3L000313
BDB000313
|
BDBM18006
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC#N)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H24F2N6O2 478.503000 |
YTQRMQYHTODFGQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18006; PubChem:CID23647903
|
Local ready
Direct docking supported
|
|
E3L000314
BDB000314
|
BDBM18007
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H24F5N5O3 537.489000 |
JJWMJWGVQCRRFZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18007; PubChem:CID23647904
|
Local ready
Direct docking supported
|
|
E3L000315
BDB000315
|
BDBM18008
CCOCCCN1C(=O)C(C)(c2cc(F)cc(F)c2)Oc2ccc(-c3c(N)nc(N)nc3CC)cc21
|
C26H29F2N5O3 497.546000 |
IPXPSGDBCIRUBU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18008; PubChem:CID23647905
|
Local ready
Direct docking supported
|
|
E3L000316
BDB000316
|
BDBM18009
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCOCC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H24F5N5O3 537.489000 |
FJQHVRLZNOVKOO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18009; PubChem:CID23647906
|
Local ready
Direct docking supported
|
|
E3L000317
BDB000317
|
BDBM18010
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H24F5N5O2 521.490000 |
UERMDDSMFCIPGD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18010; PubChem:CID11504581
|
Local ready
Direct docking supported
|
|
E3L000318
BDB000318
|
BDBM18011
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2
|
C25H24F5N5O2 521.490000 |
UERMDDSMFCIPGD-DEOSSOPVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18011; PubChem:CID23647907
|
Local ready
Direct docking supported
|
|
E3L000319
BDB000319
|
BDBM18012
COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1
|
C38H47NO8 645.793000 |
NSAUOOQLSGAVDH-YYZIUVEKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18012; PubChem:CID9939362
|
Local ready
Direct docking supported
|
|
E3L000320
BDB000320
|
BDBM18014
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
|
C19H19Cl2N5 388.302000 |
RBIUIGNTQJKKIX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18014; PubChem:CID11280673
|
Local ready
Direct docking supported
|