| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032261
BDB032261
|
US20240059691, Example 1184
CN1CCC(CNc2ccc(CNc3ccc4cccnc4c3)cn2)CC1
|
C22H27N5 361.493000 |
JHSNXLWITGYTLS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652489; PubChem:CID170928361
|
Local ready
Direct docking supported
|
|
E3L032262
BDB032262
|
US20240059691, Example 1185
CN(c1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1)c1nccn1C(F)F
|
C20H18ClF2N7 429.862000 |
OYVCWOTWAAYBLZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652490; PubChem:CID171362679
|
Local ready
Direct docking supported
|
|
E3L032263
BDB032263
|
US20240059691, Example 1188
CN1CCC(CNc2ccc(CNc3ccc4cncc(Cl)c4c3)cn2)CC1
|
C22H26ClN5 395.938000 |
BMEUZVFXSXLVOA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652491; PubChem:CID171362680
|
Local ready
Direct docking supported
|
|
E3L032264
BDB032264
|
US20240059691, Example 1189
CN1CCC(CNc2ccc(CNc3cnc4nccnc4c3)cn2)CC1
|
C20H25N7 363.469000 |
UDIDAFGDTQEITD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652492; PubChem:CID171362681
|
Local ready
Direct docking supported
|
|
E3L032265
BDB032265
|
US20240059691, Example 1193
CN1CCC(CNc2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)cn2)CC1
|
C22H27ClN6 410.953000 |
IRNZVUXYIYRDLA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652493; PubChem:CID171362682
|
Local ready
Direct docking supported
|
|
E3L032266
BDB032266
|
US20240059691, Example 1194
CN1CCC(CNc2ccc(CNc3cccc4c(N)ncc(F)c34)cn2)CC1
|
C22H27FN6 394.498000 |
JIJJXSHEUUVQGS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652494; PubChem:CID171362683
|
Local ready
Direct docking supported
|
|
E3L032267
BDB032267
|
US20240059691, Example 1195
CN1CCC(CNc2ccc(CNc3ccc4c(N)ncc(F)c4c3)cn2)CC1
|
C22H27FN6 394.498000 |
UAPHILZRWZABNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652495; PubChem:CID171362684
|
Local ready
Direct docking supported
|
|
E3L032268
BDB032268
|
US20240059691, Example 1196
CN1CCC(CNc2ccc(CNc3cc4ccnc(N)c4cn3)cn2)CC1
|
C21H27N7 377.496000 |
NZYPDXBDQWJTAF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652496; PubChem:CID171362685
|
Local ready
Direct docking supported
|
|
E3L032269
BDB032269
|
US20240059691, Example 1197
CN1CCC(CNc2ccc(CNc3ccnc4[nH]ccc34)cn2)CC1
|
C20H26N6 350.470000 |
OQHYZXMZPSUAEY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652497; PubChem:CID171362686
|
Local ready
Direct docking supported
|
|
E3L032270
BDB032270
|
US20240059691, Example 1198
CN1CCC(CNc2ccc(CNc3ccc4cncc(N5CCCCC5)c4c3)cn2)CC1
|
C27H36N6 444.627000 |
RCCGPWQOIKOWGO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652498; PubChem:CID171362687
|
Local ready
Direct docking supported
|
|
E3L032271
BDB032271
|
BDBM652499
CN1CCC(CNc2ccc(CNc3ccc4c[nH]c(=O)cc4c3)cn2)CC1
|
C22H27N5O 377.492000 |
JEYUDBDSRYRUCL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652499; PubChem:CID174191887
|
Local ready
Direct docking supported
|
|
E3L032272
BDB032272
|
US20240059691, Example 1202
Cc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2[nH]1
|
C21H28N6 364.497000 |
OGEBHANRXXUPQA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652500; PubChem:CID163390287
|
Local ready
Direct docking supported
|
|
E3L032273
BDB032273
|
US20240059691, Example 1205
Cc1cnc2[nH]ccc2c1NCc1ccc(NCC2CCN(C)CC2)nc1
|
C21H28N6 364.497000 |
ZOBCVLJKICJDRG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652501; PubChem:CID171362689
|
Local ready
Direct docking supported
|
|
E3L032274
BDB032274
|
US20240059691, Example 1206
CN1CCC(CNc2ccc(CNc3c(F)cnc4[nH]ccc34)cn2)CC1
|
C20H25FN6 368.460000 |
YOKRLSMCQUNZNE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652502; PubChem:CID171362690
|
Local ready
Direct docking supported
|
|
E3L032275
BDB032275
|
US20240059691, Example 1207
CN1CCC(CNc2ccc(CNc3cc(F)c4cnccc4c3)cn2)CC1
|
C22H26FN5 379.483000 |
NNCBCXSQAYLZFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652503; PubChem:CID171362691
|
Local ready
Direct docking supported
|
|
E3L032276
BDB032276
|
US20240059691, Example 1208
CN1CCC(CNc2ccc(CNc3cc(Cl)c4cnccc4c3)cn2)CC1
|
C22H26ClN5 395.938000 |
PVNIDTGGTDOTSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652504; PubChem:CID171362692
|
Local ready
Direct docking supported
|
|
E3L032277
BDB032277
|
US20240059691, Example 1209
CN1CCC(CNc2ccc(CNc3ccc4cnccc4c3Cl)cn2)CC1
|
C22H26ClN5 395.938000 |
DVMDKOVGIYJULU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652505; PubChem:CID171362693
|
Local ready
Direct docking supported
|
|
E3L032278
BDB032278
|
US20240059691, Example 1211
CN1CCC(CNc2ccc(CNc3cc(CO)c4cnccc4c3)cn2)CC1
|
C23H29N5O 391.519000 |
ODSQCNVIINTDDI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652506; PubChem:CID171362694
|
Local ready
Direct docking supported
|
|
E3L032279
BDB032279
|
US20240059691, Example 1213
CN1CCC(CNc2ccc(CNc3cncc4[nH]ccc34)cn2)CC1
|
C20H26N6 350.470000 |
ICXJDHNNRWEYID-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652507; PubChem:CID171362695
|
Local ready
Direct docking supported
|
|
E3L032280
BDB032280
|
US20240059691, Example 1217
COc1ccc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2c1
|
C23H29N5O 391.519000 |
PKYSKNQPNMACJN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652508; PubChem:CID171362696
|
Local ready
Direct docking supported
|