Found 517 hits with Last Name = 'guan' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Furin [108-574]
(Homo sapiens (Human)) | BDBM621456
(US11773078, Example 208)Show SMILES CNC(=O)OCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C(C)CCC(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
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Furin [108-574]
(Homo sapiens (Human)) | BDBM621311
(US11773078, Example 63)Show SMILES COC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(C)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621405
(US11773078, Example 157)Show SMILES CN1CCN(CC1)c1ccc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)nn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621266
(US11773078, Example 18)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C(C)CCS(C)(=O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621539
(US11773078, Example 291)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC(C)C(N)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621419
(US11773078, Example 171)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCCO)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621438
(US11773078, Example 190)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621482
(US11773078, Example 234)Show SMILES CCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621431
(US11773078, Example 183)Show SMILES C[C@H]1CN([C@@H](C)CN1CCS(C)(=O)=O)c1ccc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621544
(US11773078, Example 296)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CC4CCC(C3)N4CCC(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621265
(US11773078, Example 17)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(C)S(C)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621304
(US11773078, Example 56)Show SMILES COC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CC4CCC(C3)N4CCC(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621318
(US11773078, Example 70)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(C)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621417
(US11773078, Example 169)Show SMILES CC(=O)NCC1CCN(Cc2cc(Cc3ccc(nn3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621525
(US11773078, Example 277)Show SMILES NS(=O)(=O)CCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621610
(US11773078, Example 362)Show SMILES CN1CCCN(CC1)c1ccc(Oc2cc(CN3CC[C@H]4[C@@H](CC3)[C@@H]4C(O)=O)cc(n2)-c2cc(Cl)cc(Cl)c2)nn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621496
(US11773078, Example 248)Show SMILES CNC(=O)OCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621314
(US11773078, Example 66 | US11773078, Example 67)Show SMILES CNC(=O)OCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(C)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621469
(US11773078, Example 221)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C3CC(C3)C(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 |(14.95,-1.31,;13.61,-2.08,;12.28,-1.31,;12.28,.23,;10.95,-2.08,;9.61,-1.31,;8.28,-2.08,;8.28,-3.62,;6.94,-4.39,;5.61,-3.62,;4.28,-4.39,;2.94,-3.62,;1.61,-4.39,;.28,-3.62,;-1.06,-4.39,;-2.39,-3.62,;-3.72,-4.39,;-5.06,-3.62,;-5.06,-2.08,;-3.72,-1.31,;-2.39,-2.08,;-6.39,-1.31,;-7.73,-2.08,;-9.06,-1.31,;-9.06,.23,;-7.73,1,;-6.39,.23,;-10.39,1,;-10.79,2.48,;-12.28,2.08,;-11.88,.6,;-13.61,2.85,;-14.95,2.08,;-13.61,4.39,;.28,-2.08,;1.61,-1.31,;2.94,-2.08,;1.61,.23,;.28,1,;.28,2.54,;-1.06,3.31,;1.61,3.31,;2.94,2.54,;4.28,3.31,;2.94,1,;5.61,-2.08,;6.94,-1.31,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621440
(US11773078, Example 192)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCCNCC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621364
(US11773078, Example 116)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(F)cc(Br)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621305
(US11773078, Example 57)Show SMILES CC(CCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CCO)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1)C(O)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621644
(US11773078, Example 396)Show SMILES CC(CCN1CCN(CC1)c1cnc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1)C(O)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621358
(US11773078, Example 110)Show SMILES CN1CCN(CC1)c1cnc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621267
(US11773078, Example 19)Show SMILES CC(CCS(C)(=O)=O)N1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621564
(US11773078, Example 316)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC(O)C(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621470
(US11773078, Example 222)Show SMILES COC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C(C)CCC(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621468
(US11773078, Example 220)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Cc3cnc(nc3)N3CCN(CCC(C)S(C)(=O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621464
(US11773078, Example 216)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C3CC(C3)C(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 |(14.28,-2.08,;12.95,-1.31,;12.95,.23,;11.61,-2.08,;10.28,-1.31,;8.94,-2.08,;8.94,-3.62,;7.61,-4.39,;6.28,-3.62,;4.94,-4.39,;3.61,-3.62,;2.28,-4.39,;.94,-3.62,;-.39,-4.39,;-1.72,-3.62,;-3.06,-4.39,;-4.39,-3.62,;-4.39,-2.08,;-3.06,-1.31,;-1.72,-2.08,;-5.73,-1.31,;-7.06,-2.08,;-8.39,-1.31,;-8.39,.23,;-7.06,1,;-5.73,.23,;-9.73,1,;-10.12,2.48,;-11.61,2.08,;-11.21,.6,;-12.95,2.85,;-14.28,2.08,;-12.95,4.39,;.94,-2.08,;2.28,-1.31,;3.61,-2.08,;2.28,.23,;.94,1,;.94,2.54,;-.39,3.31,;2.28,3.31,;3.61,2.54,;4.94,3.31,;3.61,1,;6.28,-2.08,;7.61,-1.31,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621505
(US11773078, Example 257)Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCCS(C)(=O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621532
(US11773078, Example 284)Show SMILES CC(CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1)C(N)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621466
(US11773078, Example 218)Show SMILES CC(CCN1CCN(CC1)c1ccc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1)S(C)(=O)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621615
(US11773078, Example 367)Show SMILES CC(=O)N[C@@H]1[C@H]2CCN(Cc3cc(Oc4cnc(nc4)N4CCN(CCC(O)=O)CC4)nc(c3)-c3cc(Cl)cc(Cl)c3)CC[C@@H]12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621459
(US11773078, Example 211)Show SMILES CNC(=O)OCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C3CC(C3)C(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 |(14.95,-1.31,;13.61,-2.08,;12.28,-1.31,;12.28,.23,;10.95,-2.08,;9.61,-1.31,;8.28,-2.08,;8.28,-3.62,;6.94,-4.39,;5.61,-3.62,;4.28,-4.39,;2.94,-3.62,;1.61,-4.39,;.28,-3.62,;-1.06,-4.39,;-2.39,-3.62,;-3.72,-4.39,;-5.06,-3.62,;-5.06,-2.08,;-3.72,-1.31,;-2.39,-2.08,;-6.39,-1.31,;-7.73,-2.08,;-9.06,-1.31,;-9.06,.23,;-7.73,1,;-6.39,.23,;-10.39,1,;-10.79,2.48,;-12.28,2.08,;-11.88,.6,;-13.61,2.85,;-14.95,2.08,;-13.61,4.39,;.28,-2.08,;1.61,-1.31,;2.94,-2.08,;1.61,.23,;.28,1,;.28,2.54,;-1.06,3.31,;1.61,3.31,;2.94,2.54,;4.28,3.31,;2.94,1,;5.61,-2.08,;6.94,-1.31,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621542
(US11773078, Example 294)Show SMILES COC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)[C@@H](C)C3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458625
(CHEMBL4218013)Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(NC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H31F4N5O3/c1-3-36-9-11-37(12-10-36)17-19-5-7-21(15-22(19)28(30,31)32)34-27(39)35-24-8-6-18(13-23(24)29)20-14-25(40-4-2)26(38)33-16-20/h5-8,13-16H,3-4,9-12,17H2,1-2H3,(H,33,38)(H2,34,35,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT... |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621493
(US11773078, Example 245)Show SMILES COCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
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Furin [108-574]
(Homo sapiens (Human)) | BDBM621269
(US11773078, Example 21)Show SMILES CC(CO)N1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621274
(US11773078, Example 26)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CC3)[C@H]3C[C@@H](C3)NS(C)(=O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 |r,wU:28.32,wD:26.27,(14.95,-1.54,;13.61,-.77,;13.61,.77,;12.28,-1.54,;10.95,-.77,;9.61,-1.54,;9.61,-3.08,;8.28,-3.85,;6.94,-3.08,;5.61,-3.85,;4.28,-3.08,;2.94,-3.85,;1.61,-3.08,;.28,-3.85,;-1.06,-3.08,;-2.39,-3.85,;-3.72,-3.08,;-3.72,-1.54,;-2.39,-.77,;-1.06,-1.54,;-5.06,-.77,;-6.39,-1.54,;-7.73,-.77,;-7.73,.77,;-6.39,1.54,;-5.06,.77,;-9.06,1.54,;-9.46,3.03,;-10.95,2.63,;-10.55,1.14,;-12.28,3.4,;-13.61,2.63,;-14.95,1.86,;-13.61,1.09,;-14.95,3.4,;1.61,-1.54,;2.94,-.77,;4.28,-1.54,;2.94,.77,;1.61,1.54,;1.61,3.08,;.28,3.85,;2.94,3.85,;4.28,3.08,;5.61,3.85,;4.28,1.54,;6.94,-1.54,;8.28,-.77,)| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621613
(US11773078, Example 365)Show SMILES C[C@@H](CC1CCN(Cc2cc(Oc3ccc(nn3)N3CCN(C)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621515
(US11773078, Example 267)Show SMILES CCOC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621343
(US11773078, Example 95)Show SMILES CC(CC(N)=O)N1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621300
(US11773078, Example 52)Show SMILES CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CCO)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621486
(US11773078, Example 238)Show SMILES CC(CCO)N1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621361
(US11773078, Example 113)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCCO)CC3)cc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621362
(US11773078, Example 114)Show SMILES OCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CCC(O)=O)CC3)cc(c2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | <0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621499
(US11773078, Example 251)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCCS(C)(=O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | <0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621507
(US11773078, Example 259)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCCS(C)(=O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM50601761
(CHEMBL5203869 | US11773078, Example 263)Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Furin [108-574]
(Homo sapiens (Human)) | BDBM621520
(US11773078, Example 272)Show SMILES CS(=O)(=O)CCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CCC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
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