Found 5 hits for monomerid = 253985 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 |
|---|
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM253985
(US9481673, 27)Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)| Show InChI InChI=1S/C33H27N7O/c1-21-14-18-40-30(19-21)39-31(24-12-16-35-17-13-24)32(40)26-8-11-29(38-33(41)22(2)34-3)37-28(26)10-7-23-6-9-27-25(20-23)5-4-15-36-27/h4-6,8-9,11-20,22,34H,1-3H3,(H,37,38,41) | 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 | 3.70E+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 | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM253985
(US9481673, 27)Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)| Show InChI InChI=1S/C33H27N7O/c1-21-14-18-40-30(19-21)39-31(24-12-16-35-17-13-24)32(40)26-8-11-29(38-33(41)22(2)34-3)37-28(26)10-7-23-6-9-27-25(20-23)5-4-15-36-27/h4-6,8-9,11-20,22,34H,1-3H3,(H,37,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.30E+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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM253985
(US9481673, 27)Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)| Show InChI InChI=1S/C33H27N7O/c1-21-14-18-40-30(19-21)39-31(24-12-16-35-17-13-24)32(40)26-8-11-29(38-33(41)22(2)34-3)37-28(26)10-7-23-6-9-27-25(20-23)5-4-15-36-27/h4-6,8-9,11-20,22,34H,1-3H3,(H,37,38,41) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.30E+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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM253985
(US9481673, 27)Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)| Show InChI InChI=1S/C33H27N7O/c1-21-14-18-40-30(19-21)39-31(24-12-16-35-17-13-24)32(40)26-8-11-29(38-33(41)22(2)34-3)37-28(26)10-7-23-6-9-27-25(20-23)5-4-15-36-27/h4-6,8-9,11-20,22,34H,1-3H3,(H,37,38,41) | 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 | 400 | 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)) | BDBM253985
(US9481673, 27)Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)| Show InChI InChI=1S/C33H27N7O/c1-21-14-18-40-30(19-21)39-31(24-12-16-35-17-13-24)32(40)26-8-11-29(38-33(41)22(2)34-3)37-28(26)10-7-23-6-9-27-25(20-23)5-4-15-36-27/h4-6,8-9,11-20,22,34H,1-3H3,(H,37,38,41) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 300 | 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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