| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050421
BDB050421
|
A-792611
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)C(C)(C)C
|
C47H60N6O6 805.033000 |
KMAMPFGXPHTYPQ-KMHPXQNHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50267297; PubChem:CID11274374
|
Local ready
Direct docking supported
|
|
E3L050422
BDB050422
|
BDBM50267480
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc32)cc1O
|
C19H18IN3O4 479.274000 |
DXMZEMWEDCPBNA-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50267480
|
Local ready
Direct docking supported
|
|
E3L050423
BDB050423
|
BDBM50267989
COc1ccc2c(-c3c(C)n(Cc4cc(O[C@@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc34)noc2c1
|
C28H22ClF3N2O6 574.939000 |
SCDKVHCGNOYKFK-HNNXBMFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50267989; PubChem:CID44582932
|
Local ready
Direct docking supported
|
|
E3L050424
BDB050424
|
BDBM50267990
Cc1c(Oc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1
|
C26H20Cl2F3NO5 554.348000 |
OXVFVRNUVQWEPS-HNNXBMFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50267990; PubChem:CID24849963
|
Local ready
Direct docking supported
|
|
E3L050425
BDB050425
|
Mk-0533
CC[C@@H](Oc1cccc(-n2c(C)c(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O
|
C28H24F3NO6 527.495000 |
STWITCBWQHTJFJ-XMMPIXPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50267991; PubChem:CID11678534
|
Local ready
Direct docking supported
|
|
E3L050426
BDB050426
|
BDBM50268087
COCCc1[nH]c2c(-c3c(C)cc(N)nc3C)cccc2c1C
|
C19H23N3O 309.413000 |
MPRSQYARIHCSEH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268087; PubChem:CID137638535
|
Local ready
Direct docking supported
|
|
E3L050427
BDB050427
|
BDBM50268088
CCc1nc(N)cc(C)c1-c1cccc2c(C)c(CCOC)[nH]c12
|
C20H25N3O 323.440000 |
KOYIGSYUNXGRHK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268088; PubChem:CID137653940
|
Local ready
Direct docking supported
|
|
E3L050428
BDB050428
|
BDBM50268089
CCc1nc(N)cc(C)c1-c1ccc(F)c2c(C)c(CCOC)[nH]c12
|
C20H24FN3O 341.430000 |
WLBMPGLAQLXHAS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268089; PubChem:CID132585207
|
Local ready
Direct docking supported
|
|
E3L050429
BDB050429
|
BDBM50268090
CCc1nc(N)cc(OC)c1-c1ccc2c(c1)N(CCCOC)CCC2
|
C21H29N3O2 355.482000 |
JKYNYYBZOWKPAQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268090; PubChem:CID132576082
|
Local ready
Direct docking supported
|
|
E3L050430
BDB050430
|
6-ethyl-5-(1H-indol-7-yl)pyrimidine-2,4-diamine
CCc1nc(N)nc(N)c1-c1cccc2cc[nH]c12
|
C14H15N5 253.309000 |
SHBFCNHFYBJZOX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268091; PubChem:CID137654036
|
Local ready
Direct docking supported
|
|
E3L050431
BDB050431
|
5-(1H-indol-7-yl)-4,6-dimethylpyridin-2-amine
Cc1cc(N)nc(C)c1-c1cccc2cc[nH]c12
|
C15H15N3 237.306000 |
SKDYRLUSHZMKOQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268092; PubChem:CID137654249
|
Local ready
Direct docking supported
|
|
E3L050432
BDB050432
|
6-ethyl-5-(1H-indol-7-yl)-4-methylpyridin-2-amine
CCc1nc(N)cc(C)c1-c1cccc2cc[nH]c12
|
C16H17N3 251.333000 |
DQMCHPXRFCGOSS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268093; PubChem:CID137638441
|
Local ready
Direct docking supported
|
|
E3L050433
BDB050433
|
4,6-dimethyl-5-(3-methyl-1H-indol-7-yl)pyridin-2-amine
Cc1cc(N)nc(C)c1-c1cccc2c(C)c[nH]c12
|
C16H17N3 251.333000 |
PVFDHMOOOVKPGV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268094; PubChem:CID137649952
|
Local ready
Direct docking supported
|
|
E3L050434
BDB050434
|
BDBM50268095
CCc1nc(N)cc(C)c1-c1cccc2c(C)c[nH]c12
|
C17H19N3 265.360000 |
ISWUQAZSTFQQSL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268095; PubChem:CID137632707
|
Local ready
Direct docking supported
|
|
E3L050435
BDB050435
|
BDBM50268096
CCc1nc(N)cc(C)c1-c1ccc(F)c2c(C)c[nH]c12
|
C17H18FN3 283.350000 |
UVMAOPOEIZASEP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268096; PubChem:CID137660084
|
Local ready
Direct docking supported
|
|
E3L050436
BDB050436
|
BDBM50268098
CCc1nc(N)cc(C)c1-c1cc(F)cc2c(C)c[nH]c12
|
C17H18FN3 283.350000 |
MMQLUNQOUUGPCS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268098; PubChem:CID137640700
|
Local ready
Direct docking supported
|
|
E3L050437
BDB050437
|
BDBM50268099
CCc1nc(N)cc(C)c1-c1cc(F)c(F)c2c(C)c[nH]c12
|
C17H17F2N3 301.340000 |
DYUJOHBWWVHAEJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268099; PubChem:CID137648833
|
Local ready
Direct docking supported
|
|
E3L050438
BDB050438
|
BDBM50268111
COCCCN1CCCc2ccc(-c3c(C)cc(N)nc3C)cc21
|
C20H27N3O 325.456000 |
ZWWBLJWLJFOZHD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268111; PubChem:CID137653879
|
Local ready
Direct docking supported
|
|
E3L050439
BDB050439
|
BDBM50268112
CCc1nc(N)cc(C)c1-c1ccc2c(c1)N(CCCOC)CCC2
|
C21H29N3O 339.483000 |
XCVMVMABAXFPRC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268112; PubChem:CID132576081
|
Local ready
Direct docking supported
|
|
E3L050440
BDB050440
|
BDBM50268113
COCCCN1CCCc2ccc(-c3cnc(N)cc3OC)cc21
|
C19H25N3O2 327.428000 |
KMGFBWACIOPYLT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50268113; PubChem:CID137650764
|
Local ready
Direct docking supported
|