| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061441
BDB061441
|
BDBM50583750
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCC1CCCCC1
|
C20H26N6 350.470000 |
LCSMODPSWXEJLH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583750; PubChem:CID135336009
|
Local ready
Direct docking supported
|
|
E3L061442
BDB061442
|
BDBM50583751
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1Cc1ccc(F)cc1
|
C19H17FN6 348.385000 |
XKBACCJVCIHQMK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583751; PubChem:CID135335807
|
Local ready
Direct docking supported
|
|
E3L061443
BDB061443
|
BDBM50583752
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccco1
|
C18H18N6O 334.383000 |
ZWDRSWWQYGLOOM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583752; PubChem:CID135335815
|
Local ready
Direct docking supported
|
|
E3L061444
BDB061444
|
BDBM50583753
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1ccccc1
|
C20H20N6O 360.421000 |
XQMMPFLQOCIGRW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583753; PubChem:CID135335939
|
Local ready
Direct docking supported
|
|
E3L061445
BDB061445
|
BDBM50583754
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)F
|
C14H14F2N6 304.304000 |
JQVRJDHSZIESJC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583754; PubChem:CID135335870
|
Local ready
Direct docking supported
|
|
E3L061446
BDB061446
|
Dyrk1A-IN-4
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F
|
C14H13F3N6 322.294000 |
QHTJZFWEQYRYQE-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583755; PubChem:CID135335888
|
Local ready
Direct docking supported
|
|
E3L061447
BDB061447
|
BDBM50583756
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC(F)(F)F
|
C16H17F3N6 350.348000 |
LQSUUCXGVOHOFM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583756; PubChem:CID135335802
|
Local ready
Direct docking supported
|
|
E3L061448
BDB061448
|
4-(2,3-Dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Cc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C
|
C15H15N3O 253.305000 |
PZRAWCBVDRNTDQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583757; PubChem:CID155920140
|
Local ready
Direct docking supported
|
|
E3L061449
BDB061449
|
BDBM50583758
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccccc1
|
C21H22N6O 374.448000 |
PUGXENIKUPHCAF-ZDUSSCGKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583758; PubChem:CID135335963
|
Local ready
Direct docking supported
|
|
E3L061450
BDB061450
|
BDBM50583759
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1ccccn1
|
C19H19N7O 361.409000 |
QXPJTIYARGTANC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583759; PubChem:CID135336101
|
Local ready
Direct docking supported
|
|
E3L061451
BDB061451
|
BDBM50583760
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccccn1
|
C20H21N7O 375.436000 |
CCUMIOKJQCVBML-GFCCVEGCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583760; PubChem:CID135336092
|
Local ready
Direct docking supported
|
|
E3L061452
BDB061452
|
BDBM50583761
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccccn1
|
C20H21N7O 375.436000 |
CCUMIOKJQCVBML-LBPRGKRZSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583761; PubChem:CID135335880
|
Local ready
Direct docking supported
|
|
E3L061453
BDB061453
|
BDBM50583762
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Br)n1
|
C19H18BrN7O 440.305000 |
IOUKAQLHORTKRT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583762; PubChem:CID135335953
|
Local ready
Direct docking supported
|
|
E3L061454
BDB061454
|
BDBM50583763
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Cl)n1
|
C19H18ClN7O 395.854000 |
HKCITBQBYLZFBK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583763; PubChem:CID135335844
|
Local ready
Direct docking supported
|
|
E3L061455
BDB061455
|
BDBM50583764
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1cccc(Br)n1
|
C20H20BrN7O 454.332000 |
POSGRZQCKOTBHE-LLVKDONJSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50583764; PubChem:CID135336061
|
Local ready
Direct docking supported
|
|
E3L061456
BDB061456
|
BDBM50583790
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C66H103N23O16S 1506.762000 |
IOYPAQFESXRNJZ-CUZNLEPHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50583790; PubChem:CID166625809
|
Local ready
Direct docking supported
|
|
E3L061457
BDB061457
|
BDBM50583791
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O
|
C66H101N19O15S 1432.719000 |
NVEUMOAVDZBVON-RUQMXQSSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50583791; PubChem:CID166636478
|
Local ready
Direct docking supported
|
|
E3L061458
BDB061458
|
BDBM50583792
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C72H114N24O18S 1635.921000 |
MNCXDBZMFJGEHV-JPVKUASSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50583792; PubChem:CID166636448
|
Local ready
Direct docking supported
|
|
E3L061459
BDB061459
|
BDBM50583793
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(C)C)NC1=O
|
C83H125N23O23S 1845.118000 |
LOGMKSCIHHUBHA-PQAGMQGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50583793; PubChem:CID166636232
|
Local ready
Direct docking supported
|
|
E3L061460
BDB061460
|
BDBM50583794
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C60H97N19O17S 1388.619000 |
UXLTZTRGAWBLIW-VGGLUEFWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50583794; PubChem:CID166626220
|
Local ready
Direct docking supported
|