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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
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/
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100%
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Download
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
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Compile Data Set for Download or QSAR
Found
141
hits Enz. Inhib. hit(s) with all data for entry = 50013027
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562254
(CHEMBL4749123)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(F)cn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.0700
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562252
(CHEMBL4798651)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(Cl)cn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.140
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562251
(CHEMBL4759410)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(Cl)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.300
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562250
(CHEMBL4799247)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(F)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.380
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562243
(CHEMBL4782753)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(Br)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.460
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562229
(CHEMBL4755282)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccccn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.600
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562253
(CHEMBL4798694)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cc(Cl)ccn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.840
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562222
(CHEMBL4747913)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cc2ccccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.870
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562241
(CHEMBL4799346)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(F)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.930
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562215
(CHEMBL4746733)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2cc[nH]c2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.950
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562230
(CHEMBL4759778)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(F)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.980
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562236
(CHEMBL4745341)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(N)nc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.980
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562227
(CHEMBL4781895)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccnc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562219
(CHEMBL4742050)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc2ccccc2n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562231
(CHEMBL4750829)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(Br)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562242
(CHEMBL4799305)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(Cl)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562223
(CHEMBL4744690)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccco1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562228
(CHEMBL4744264)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccncc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562249
(CHEMBL4750507)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(C)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562255
(CHEMBL4753119)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(Br)cn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562232
(CHEMBL4791264)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cncc(C)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562217
(CHEMBL4759437)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2[nH]ncc2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562252
(CHEMBL4798651)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(Cl)cn1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562218
(CHEMBL4753629)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc2ncccc2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562226
(CHEMBL4749988)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccnnc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562217
(CHEMBL4759437)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2[nH]ncc2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562250
(CHEMBL4799247)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(F)n1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562225
(CHEMBL4781932)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cscn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562225
(CHEMBL4781932)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cscn1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562221
(CHEMBL4753083)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1c[nH]c2ccccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562224
(CHEMBL4746097)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccs1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562224
(CHEMBL4746097)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccs1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562229
(CHEMBL4755282)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccccn1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562251
(CHEMBL4759410)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(Cl)n1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES
O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI
InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
PDB
Article
PubMed
n/a
n/a
5.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
3D Structure (crystal)
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562256
(CHEMBL4792471)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(N)cn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562247
(CHEMBL4761904)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(N)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562232
(CHEMBL4791264)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cncc(C)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562227
(CHEMBL4781895)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562248
(CHEMBL4745897)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(O)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562231
(CHEMBL4750829)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(Br)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562253
(CHEMBL4798694)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cc(Cl)ccn1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562222
(CHEMBL4747913)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cc2ccccc2o1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562235
(CHEMBL4781446)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(O)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562223
(CHEMBL4744690)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccco1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
14
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562245
(CHEMBL4740802)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(N)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562213
(CHEMBL4740535)
Show SMILES
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(c1)N1CCOCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1B1
(Homo sapiens (Human))
BDBM50562216
(CHEMBL4745122)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2[nH]cnc2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562221
(CHEMBL4753083)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1c[nH]c2ccccc12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
17
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1
(Homo sapiens (Human))
BDBM50562254
(CHEMBL4749123)
Show SMILES
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(F)cn1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
17
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112895
BindingDB Entry DOI:
10.7270/Q2KW5KS3
More data for this
Ligand-Target Pair
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