Found 10 hits for monomerid = 50234038 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 |
|---|
Indoleamine 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of IDO1 (unknown origin) using tryptophan as substrate preincubated for 15 mins followed by substrate addition by high-throughput screenin... |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using BFC as substrate |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g... |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50234038
(CHEMBL4097275)Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using BZR as substrate |
Bioorg Med Chem Lett 27: 582-585 (2017)
BindingDB Entry DOI: 10.7270/Q2QN6914 |
More data for this
Ligand-Target Pair | |
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