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1 similar compounds to monomer 50355393

Wt: 546.4
BDBM50355392

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50355392   
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 3A


(Homo sapiens (human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using DBF as substrate


J Med Chem 54: 7066-83 (2011)

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


(Homo sapiens (human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate


J Med Chem 54: 7066-83 (2011)

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


(Homo sapiens (human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 using MFC as substrate


J Med Chem 54: 7066-83 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 using CEC as substrate


J Med Chem 54: 7066-83 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 using AMMC as substrate


J Med Chem 54: 7066-83 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50355392
PNG
(CHEMBL1834658)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)
PDB
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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate


J Med Chem 54: 7066-83 (2011)

More data for this
Ligand-Target Pair