Found 7 hits for monomerid = 254006 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3)
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | 25 |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% Triton X100) for on... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | 25 |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% Triton X100) for on... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM254006
(US9481673, (S)-16)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)| Show InChI InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer ingelheim International GmbH
US Patent
| Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen... |
US Patent US9481673 (2016)
BindingDB Entry DOI: 10.7270/Q24M93G0 |
More data for this
Ligand-Target Pair | |
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