Found 54 hits with Last Name = 'gualtieri' and Initial = 'm' 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 |
|---|
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611567
(US10626144, Compound 25.1)Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611541
(US10626144, Compound 22.15)Show SMILES CC=C(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611535
(US10626144, Compound Odilomycin C)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N |wU:59.61,40.40,21.26,wD:47.53,78.80,74.76,63.65,67.69,30.37,8.13,(-15.75,2.94,;-14.51,3.85,;-13.1,3.22,;-11.86,4.13,;-10.45,3.51,;-9.21,4.42,;-7.8,3.8,;-7.63,2.27,;-6.55,4.71,;-6.72,6.24,;-8.13,6.86,;-8.29,8.39,;-9.7,9.01,;-9.87,10.55,;-5.14,4.09,;-3.9,5,;-4.07,6.53,;-2.49,4.37,;-2.33,2.84,;-.92,2.22,;.32,3.13,;-.75,.69,;-2,-.22,;-1.83,-1.75,;-3.07,-2.66,;-2.91,-4.19,;-4.15,-5.1,;.66,.07,;.82,-1.46,;-.42,-2.37,;2.23,-2.09,;3.47,-1.18,;3.31,.36,;1.97,1.12,;2.29,2.63,;3.82,2.79,;4.45,1.39,;2.4,-3.62,;3.81,-4.24,;5.05,-3.33,;3.97,-5.77,;2.83,-6.8,;3.46,-8.21,;4.99,-8.04,;5.31,-6.53,;6.71,-5.9,;6.87,-4.37,;7.96,-6.81,;7.81,-8.34,;6.4,-8.97,;6.24,-10.5,;4.84,-11.13,;9.37,-6.17,;10.62,-7.08,;10.46,-8.61,;12.02,-6.44,;13.27,-7.35,;14.67,-6.72,;14.83,-5.18,;15.92,-7.62,;17.33,-6.99,;18.58,-7.89,;18.42,-9.42,;19.98,-7.26,;21.23,-8.16,;22.63,-7.53,;22.79,-5.99,;23.88,-8.43,;23.73,-9.96,;25.29,-7.8,;26.54,-8.7,;27.94,-8.07,;29.19,-8.97,;30.6,-8.34,;20.14,-5.72,;21.54,-5.09,;18.89,-4.82,;19.04,-3.29,;15.77,-9.15,;14.36,-9.78,;17.02,-10.05,;16.86,-11.58,;-1.25,5.28,;.16,4.66,;1.4,5.57,;2.81,4.95,;4.05,5.86,;5.46,5.24,;3.89,7.39,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611534
(US10626144, Compound Odilomycin A)Show SMILES NCCCCNC(=O)[C@H](CCC(O)CN)NC(=O)C(\NC(=O)[C@H](CCC(O)CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N |wU:61.63,42.42,22.28,wD:49.55,80.82,76.78,65.67,69.71,32.39,8.14,(-15.75,2.94,;-14.51,3.85,;-13.1,3.22,;-11.86,4.13,;-10.45,3.51,;-9.21,4.42,;-7.8,3.8,;-7.63,2.27,;-6.55,4.71,;-6.72,6.24,;-8.13,6.86,;-8.29,8.39,;-7.05,9.3,;-9.7,9.01,;-9.87,10.55,;-5.14,4.09,;-3.9,5,;-4.07,6.53,;-2.49,4.37,;-2.33,2.84,;-.92,2.22,;.32,3.13,;-.75,.69,;-2,-.22,;-1.83,-1.75,;-3.07,-2.66,;-4.48,-2.04,;-2.91,-4.19,;-4.15,-5.1,;.66,.07,;.82,-1.46,;-.42,-2.37,;2.23,-2.09,;3.47,-1.18,;3.31,.36,;1.97,1.12,;2.29,2.63,;3.82,2.79,;4.45,1.39,;2.4,-3.62,;3.81,-4.24,;5.05,-3.33,;3.97,-5.77,;2.83,-6.8,;3.46,-8.21,;4.99,-8.04,;5.31,-6.53,;6.71,-5.9,;6.87,-4.37,;7.96,-6.81,;7.81,-8.34,;6.4,-8.97,;6.24,-10.5,;4.84,-11.13,;9.37,-6.17,;10.62,-7.08,;10.46,-8.61,;12.02,-6.44,;13.27,-7.35,;14.67,-6.72,;14.83,-5.18,;15.92,-7.62,;17.33,-6.99,;18.58,-7.89,;18.42,-9.42,;19.98,-7.26,;21.23,-8.16,;22.63,-7.53,;22.79,-5.99,;23.88,-8.43,;23.73,-9.96,;25.29,-7.8,;26.54,-8.7,;27.94,-8.07,;29.19,-8.97,;30.6,-8.34,;20.14,-5.72,;21.54,-5.09,;18.89,-4.82,;19.04,-3.29,;15.77,-9.15,;14.36,-9.78,;17.02,-10.05,;16.86,-11.58,;-1.25,5.28,;.16,4.66,;1.4,5.57,;2.81,4.95,;4.05,5.86,;5.46,5.24,;3.89,7.39,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611575
(US10626144, Compound 224.1)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@H](CN)OC(=O)C(F)(F)F)=C\CCNC(N)=N |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611544
(US10626144, Compound 22.24)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611543
(US10626144, Compound 22.23)Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611542
(US10626144, Compound 22.16)Show SMILES C[C@H](N)C(=O)N[C@@H]([C@@H](O)CN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611540
(US10626144, Compound 22.12)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCNC(N)=N |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611552
(US10626144, Compound 24.67)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC#C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611550
(US10626144, Compound 24.22)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611549
(US10626144, Compound 24.20)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611548
(US10626144, Compound 24.17)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611547
(US10626144, Compound 24.15)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cn(C)cn1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611569
(US10626144, Compound 27.1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611546
(US10626144, Compound 24.14)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cncn1C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611571
(US10626144, Compound 28.1)Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611545
(US10626144, Compound 24.1)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611536
(US10626144, Compound 21.1)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)=C\CCNC(N)=N |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611537
(US10626144, Compound 22.3)Show SMILES CN[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611573
(US10626144, Compound 212.1)Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611539
(US10626144, Compound 22.5)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611538
(US10626144, Compound 22.4)Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611574
(US10626144, Compound 212.2)Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611572
(US10626144, Compound 28.2)Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611570
(US10626144, Compound 27.2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611568
(US10626144, Compound 25.2)Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611566
(US10626144, Compound 24.154)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O)cc1 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611565
(US10626144, Compound 24.153)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611564
(US10626144, Compound 24.152)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611563
(US10626144, Compound 24.151)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1F)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611561
(US10626144, Compound 24.135)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC#C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611562
(US10626144, Compound 24.138)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611558
(US10626144, Compound 24.103)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611557
(US10626144, Compound 24.97)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611556
(US10626144, Compound 24.93)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611555
(US10626144, Compound 24.88)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611553
(US10626144, Compound 24.76)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cn(C)cn1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611551
(US10626144, Compound 24.66)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611560
(US10626144, Compound 24.112)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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| | n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611559
(US10626144, Compound 24.109)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O |r| | PDB
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| | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611554
(US10626144, Compound 24.85)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(O)=O)cc1OC |r| | PDB
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| | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50423645
(Albamycin | Cathomycin | NOVOBIOCIN)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS-CPBS/UMR 5236
Curated by ChEMBL
| Assay Description
Binding affinity to first site on human serum albumin by SPR |
Antimicrob Agents Chemother 53: 1528-31 (2009)
Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50335519
((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r| Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
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| DrugBank
Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS-CPBS/UMR 5236
Curated by ChEMBL
| Assay Description
Binding affinity to first site on human serum albumin by SPR |
Antimicrob Agents Chemother 53: 1528-31 (2009)
Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50370232
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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DrugBank
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KEGG
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PDB
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS-CPBS/UMR 5236
Curated by ChEMBL
| Assay Description
Binding affinity to first site on human serum albumin by SPR |
Antimicrob Agents Chemother 53: 1528-31 (2009)
Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50344942
(CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
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PC cid
PC sid
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| DrugBank
Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS-CPBS/UMR 5236
Curated by ChEMBL
| Assay Description
Binding affinity to first site on human serum albumin by SPR |
Antimicrob Agents Chemother 53: 1528-31 (2009)
Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50335522
((2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3...)Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
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UniChem
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Similars
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS-CPBS/UMR 5236
Curated by ChEMBL
| Assay Description
Binding affinity to first site on human serum albumin by SPR |
Antimicrob Agents Chemother 53: 1528-31 (2009)
Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50335523
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16| Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS-CPBS/UMR 5236
Curated by ChEMBL
| Assay Description
Binding affinity to first site on human serum albumin by SPR |
Antimicrob Agents Chemother 53: 1528-31 (2009)
Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a |
Universidad de Los Andes
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HSP90-alpha (unknown origin) by surface plasmon resonance analysis |
J Nat Prod 77: 596-602 (2014)
Article DOI: 10.1021/np400863d
BindingDB Entry DOI: 10.7270/Q2Z03C4S |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495948
(1,3-Diacetylvilasinin | CHEMBL463701)Show SMILES [H][C@]12OC[C@]3(C)[C@@H](C[C@H](OC(C)=O)[C@@](C)([C@@]13[H])[C@@]1([H])CC[C@@]3(C)[C@@H](CC=C3[C@]1(C)[C@@H]2O)c1ccoc1)OC(C)=O |r,c:27| Show InChI InChI=1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a |
Universidad de Los Andes
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HSP90-alpha (unknown origin) by surface plasmon resonance analysis |
J Nat Prod 77: 596-602 (2014)
Article DOI: 10.1021/np400863d
BindingDB Entry DOI: 10.7270/Q2Z03C4S |
More data for this
Ligand-Target Pair | |
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