| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032521
BDB032521
|
US20240059691, Example 4472
Nc1nccc2c(NCc3ccnc(N4CCn5c(nnc5C(F)(F)F)C4)c3)cccc12
|
C21H19F3N8 440.433000 |
BHPZLQCVTCQJTB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652752; PubChem:CID171362858
|
Local ready
Direct docking supported
|
|
E3L032522
BDB032522
|
US20240059691, Example 5442
Nc1ncc(Cl)c2cc(NCc3cccc(CC(=O)N4CCn5ccnc5C4)c3)ccc12
|
C24H23ClN6O 446.942000 |
JWEQJWUQLJRRCI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652758; PubChem:CID171362859
|
Local ready
Direct docking supported
|
|
E3L032523
BDB032523
|
US20240059691, Example 8459
Nc1nccc2c(NCc3cc(N4CCn5c(nnc5C(F)(F)F)C4)cs3)cccc12
|
C20H18F3N7S 445.474000 |
ZARUCMDKBCWDCG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652759; PubChem:CID163390386
|
Local ready
Direct docking supported
|
|
E3L032524
BDB032524
|
US20240059691, Example 9001
Nc1nccc2c(NCc3ccc(N4CCn5c(nnc5C(F)(F)F)C4)cn3)cccc12
|
C21H19F3N8 440.433000 |
PHLLDHUJAMWXHD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652760; PubChem:CID171362860
|
Local ready
Direct docking supported
|
|
E3L032525
BDB032525
|
US20240059691, Example 9002
Nc1nccc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)cn3)cccc12
|
C20H18F3N9 441.421000 |
TYYMJRZKUDJFKB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652761; PubChem:CID163390277
|
Local ready
Direct docking supported
|
|
E3L032526
BDB032526
|
US20240059691, Example 9003
Nc1nccc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)nc3)cccc12
|
C20H18F3N9 441.421000 |
SKFSIGWPCSGGAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652762; PubChem:CID171362861
|
Local ready
Direct docking supported
|
|
E3L032527
BDB032527
|
US20240059691, Example 9004
Nc1nccc2c(NCc3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nn3)cccc12
|
C20H18F3N9 441.421000 |
ZTRMXSLNTVCKKN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652763; PubChem:CID163390468
|
Local ready
Direct docking supported
|
|
E3L032528
BDB032528
|
US20240059691, Example 9005
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)cnc1CNc1cccc2c(N)nccc12
|
C22H21F3N8 454.460000 |
MWDLRAJKBFJGKK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652764; PubChem:CID163390417
|
Local ready
Direct docking supported
|
|
E3L032529
BDB032529
|
US20240059691, Example 9006
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)nc(C)c1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
SBFVHGJSVOMQJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652765; PubChem:CID171362862
|
Local ready
Direct docking supported
|
|
E3L032530
BDB032530
|
US20240059691, Example 9007
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2C)cnc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
WIACSVSMZOIFQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652766; PubChem:CID171362863
|
Local ready
Direct docking supported
|
|
E3L032531
BDB032531
|
US20240059691, Example 9008
CC1c2nnc(C(F)(F)F)n2CCN1c1cnc(CNc2cccc3c(N)nccc23)c(F)c1
|
C22H20F4N8 472.450000 |
KCAWHJHOIDIKKR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652767; PubChem:CID171362864
|
Local ready
Direct docking supported
|
|
E3L032532
BDB032532
|
US20240059691, Example 10001
Nc1nccc2c(N3CCCC3c3ccc(N4CCn5c(nnc5C(F)F)C4)nc3)cccc12
|
C24H24F2N8 462.508000 |
WNPIAQBIXAUOBA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652768; PubChem:CID171362865
|
Local ready
Direct docking supported
|
|
E3L032533
BDB032533
|
US20240059691, Example 10002
Nc1nccc2c(N3CCCC3c3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nc3)cccc12
|
C24H23F3N8 480.498000 |
RVIHDYFOYNJDSF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652769; PubChem:CID163390225
|
Local ready
Direct docking supported
|
|
E3L032534
BDB032534
|
US20240059691, Example 10003
Nc1nccc2c(N3CCC[C@H]3c3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nc3)cccc12
|
C24H23F3N8 480.498000 |
RVIHDYFOYNJDSF-SFHVURJKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652770; PubChem:CID169100201
|
Local ready
Direct docking supported
|
|
E3L032535
BDB032535
|
US20240059691, Example 10004
Nc1nccc2c(N3CCC[C@@H]3c3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nc3)cccc12
|
C24H23F3N8 480.498000 |
RVIHDYFOYNJDSF-GOSISDBHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652771; PubChem:CID169100179
|
Local ready
Direct docking supported
|
|
E3L032536
BDB032536
|
BDBM653551
O=C1CCC(N2Cc3c(ccc4c3OC3(C=C4)CCNCC3)C2=O)C(=O)N1
|
C20H21N3O4 367.405000 |
PUFDUXUYQPVSEE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM653551; PubChem:CID170927615
|
Local ready
Direct docking supported
|
|
E3L032537
BDB032537
|
BDBM653552
O=C1CCC(N2Cc3c(ccc4c3OC3(CCNCC3)CC4)C2=O)C(=O)N1
|
C20H23N3O4 369.421000 |
LBUSZCRLDPVESA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM653552; PubChem:CID169103694
|
Local ready
Direct docking supported
|
|
E3L032538
BDB032538
|
BDBM653553
O=C1CCC(N2Cc3c(ccc4c3OC3(C=C4)CNC3)C2=O)C(=O)N1
|
C18H17N3O4 339.351000 |
ZTGWIWZKPUQUGI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM653553; PubChem:CID170927619
|
Local ready
Direct docking supported
|
|
E3L032539
BDB032539
|
BDBM653554
O=C1CCC(N2Cc3c(ccc4c3OC3(CC4)CNC3)C2=O)C(=O)N1
|
C18H19N3O4 341.367000 |
KTYSGGREJKECGK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM653554; PubChem:CID170927622
|
Local ready
Direct docking supported
|
|
E3L032540
BDB032540
|
BDBM653555
O=C1CC[C@H](N2Cc3c(ccc4c3OCC3(CCNCC3)O4)C2=O)C(=O)N1
|
C19H21N3O5 371.393000 |
MRTAHKBGZKGBRA-ZDUSSCGKSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM653555; PubChem:CID170728102
|
Local ready
Direct docking supported
|