Found 7 hits for monomerid = 254002 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 |
|---|
Baculoviral IAP repeat-containing protein 2 [256-363]
(Homo sapiens (Human)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
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 | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 333 | 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)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/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)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/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 2C9
(Homo sapiens (Human)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/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 2D6
(Homo sapiens (Human)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
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 2C8
(Homo sapiens (Human)) | BDBM254002
(US9481673, (S)-12)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)| Show InChI InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/m0/s1 | PDB
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 | |
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