| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022781
BDB022781
|
US11180484, Example 80
COCc1nn(Cc2cnc(N3CCCC3)nc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
|
C24H28N10O3 504.555000 |
OLELYTACRIKUHK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528129; PubChem:CID139301873
|
Local ready
Direct docking supported
|
|
E3L022782
BDB022782
|
US11180484, Example 83
COc1ccc(-n2cnnn2)c(CNC(=O)c2cn(Cc3ccc(N4CCCC4)nc3)nc2C(F)(F)F)c1F
|
C24H23F4N9O2 545.501000 |
SHZUCTHKVWMOJI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528130; PubChem:CID139301859
|
Local ready
Direct docking supported
|
|
E3L022783
BDB022783
|
US11180484, Example 86
COCc1nn(Cc2cnc(N3CCC(F)(F)C3)nc2)cc1C(=O)NCc1c(-n2cnnn2)ccc(OC)c1F
|
C24H25F3N10O3 558.525000 |
CEOSELUUHJNGPA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528131; PubChem:CID139301811
|
Local ready
Direct docking supported
|
|
E3L022784
BDB022784
|
US11180484, Example 87
COCc1nn(Cc2ccc(N3CCC(F)(F)C3)nc2)cc1C(=O)NCc1c(-n2cnnn2)ccc(OC)c1F
|
C25H26F3N9O3 557.537000 |
HWYRMCCHOBIHJO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528132; PubChem:CID139301856
|
Local ready
Direct docking supported
|
|
E3L022785
BDB022785
|
US11180484, Example 88
COCc1nn(Cc2cnc(N3CCC(F)(F)C3)nc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
|
C24H26F2N10O3 540.535000 |
GXMGYLDFFLDKJK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528133; PubChem:CID132190827
|
Local ready
Direct docking supported
|
|
E3L022786
BDB022786
|
US11192880, Example X-1
CNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)N[C@@H](C)C4)ncc3Cl)ccc2n(C)c1=O
|
C23H28ClN7O3 485.976000 |
NSSRTMPGNIDSTM-OKILXGFUSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM528565; PubChem:CID142606276
|
Local ready
Direct docking supported
|
|
E3L022787
BDB022787
|
US11192880, Example X-2
CNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ncc3Cl)ccc2n(C)c1=O
|
C23H27ClN6O4 486.960000 |
KNJJXBVNLZTWPR-OKILXGFUSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM528567; PubChem:CID142606271
|
Local ready
Direct docking supported
|
|
E3L022788
BDB022788
|
US11192880, Example X-3
CNC(=O)COc1cc2cc(Nc3nc(N4CC5CCC(C4)C5(F)F)ncc3Cl)ccc2n(C)c1=O
|
C24H25ClF2N6O3 518.952000 |
CDOJZLUKSSVWMM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM528568; PubChem:CID142606270
|
Local ready
Direct docking supported
|
|
E3L022789
BDB022789
|
US11192880, Example Ia
CNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)C(F)(F)[C@@H](C)C4)ncc3Cl)ccc2n(C)c1=O
|
C24H27ClF2N6O3 520.968000 |
UTHNWHQCMSDFJE-OKILXGFUSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM528569; PubChem:CID142606275
|
Local ready
Direct docking supported
|
|
E3L022790
BDB022790
|
BDBM529371
C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C23H25BrN6O2 497.397000 |
TYWVDVASSSOQLE-XQQXVUDOSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529371; PubChem:CID155623315
|
Local ready
Direct docking supported
|
|
E3L022791
BDB022791
|
BDBM529372
CC[C@]1(CCc2ccc3ccc(N)nc3n2)C[C@@H](n2ccc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21
|
C26H31N7O2 473.581000 |
RSZYMIYAQBVTGF-NYWXEVPUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM529372
|
Local ready
Direct docking supported
|
|
E3L022792
BDB022792
|
BDBM529373
Cc1ncnc2c1ccn2[C@@H]1C[C@](C)(CCc2cc(F)c3cc(Cl)c(N)nc3c2)[C@H]2OC(C)(C)O[C@@H]12
|
C27H29ClFN5O2 510.013000 |
BAEGBPBNFVFGDV-GGLGADRISA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM529373
|
Local ready
Direct docking supported
|
|
E3L022793
BDB022793
|
BDBM529374
C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O
|
C24H25F2N5O2 453.493000 |
ZQKPPMWVYFYUQJ-VPJOFFEXSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529374; PubChem:CID155164893
|
Local ready
Direct docking supported
|
|
E3L022794
BDB022794
|
BDBM529375
CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)C[C@](C=O)(CCc3cc(F)c4cc(Cl)c(N)nc4c3)[C@H]2O1
|
C26H24Cl2FN5O3 544.414000 |
HBIPJSTZYCNZDD-FUSMBFRDSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM529375
|
Local ready
Direct docking supported
|
|
E3L022795
BDB022795
|
BDBM529376
COC[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C24H26ClFN6O3 500.962000 |
BKGRZYFOJABSFK-XUJKJYMVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529376; PubChem:CID155705467
|
Local ready
Direct docking supported
|
|
E3L022796
BDB022796
|
BDBM529377
Nc1ncnc2c1ccn2[C@H]1[C@H](O)[C@H](O)[C@]2([C@H](O)c3ccc(Cl)c(Cl)c3)C[C@H]12
|
C19H18Cl2N4O3 421.284000 |
NXMGAWHQVFJJAK-XGNHOHPRSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529377; PubChem:CID163200161
|
Local ready
Direct docking supported
|
|
E3L022797
BDB022797
|
BDBM529378
Nc1ncnc2c1ccn2[C@H]1[C@H](O)[C@H](O)[C@]2([C@@H](O)c3ccc(Cl)c(Cl)c3)C[C@H]12
|
C19H18Cl2N4O3 421.284000 |
NXMGAWHQVFJJAK-MEYBDHEYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529378; PubChem:CID163200162
|
Local ready
Direct docking supported
|
|
E3L022798
BDB022798
|
BDBM529379
Nc1nc2cc(OC[C@@]3(F)C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br
|
C21H20BrFN6O3 503.332000 |
GUIQOTFUZWXBTM-JJDSTIRJSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529379; PubChem:CID155164920
|
Local ready
Direct docking supported
|
|
E3L022799
BDB022799
|
BDBM529380
Cc1cc2ccc(OC[C@@]3(C)C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2nc1N
|
C23H26N6O3 434.500000 |
OGXVNNAVHVPILN-GKAYAJSDSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529380; PubChem:CID163200163
|
Local ready
Direct docking supported
|
|
E3L022800
BDB022800
|
BDBM529381
Nc1nc2cc(OC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br
|
C21H21BrN6O3 485.342000 |
SIHOACLVFNATOR-WAFHWIMBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM529381; PubChem:CID126637403
|
Local ready
Direct docking supported
|