Found 6 hits for monomerid = 50419562 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 |
|---|
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419562
(CHEMBL1934424)Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1 | Reactome pathway
KEGG
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant FPR1 in expressed in HEK293 cells assessed as inhibition of FMLP-stimulated intracellular calcium mobilisati... |
Bioorg Med Chem Lett 22: 532-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.090
BindingDB Entry DOI: 10.7270/Q27P90NM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50419562
(CHEMBL1934424)Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1 | PDB
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 532-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.090
BindingDB Entry DOI: 10.7270/Q27P90NM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50419562
(CHEMBL1934424)Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 532-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.090
BindingDB Entry DOI: 10.7270/Q27P90NM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50419562
(CHEMBL1934424)Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 532-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.090
BindingDB Entry DOI: 10.7270/Q27P90NM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50419562
(CHEMBL1934424)Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 532-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.090
BindingDB Entry DOI: 10.7270/Q27P90NM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50419562
(CHEMBL1934424)Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 532-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.090
BindingDB Entry DOI: 10.7270/Q27P90NM |
More data for this
Ligand-Target Pair | |
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