Found 7 hits for monomerid = 253995 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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/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 | 677 | 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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/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)) | BDBM253995
(US9481673, (S)-5)Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)| Show InChI InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30E+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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