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BDBM50138602 CHEMBL152968::N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1

InChI Key: InChIKey=SZRMSHBRXJWBFG-RUZDIDTESA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50138602   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50138602
PNG
(CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1
Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2 of isolated guinea pig heart


Bioorg Med Chem Lett 14: 549-52 (2003)

More data for this
Ligand-Target Pair
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50138602
PNG
(CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1
Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation.


Bioorg Med Chem Lett 14: 549-52 (2003)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50138602
PNG
(CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1
Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4 of isolated guinea pig heart


Bioorg Med Chem Lett 14: 549-52 (2003)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138602
PNG
(CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1
Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9 of isolated guinea pig heart


Bioorg Med Chem Lett 14: 549-52 (2003)

More data for this
Ligand-Target Pair