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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Ki
IC50
Kd
EC50
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Compile Data Set for Download or QSAR
Found
7
hits of ic50 for monomerid = 50043409
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
Serine/threonine-protein kinase ATR
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
0.200
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
80
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>4.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of mTOR (unknown origin)
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of CYP1A2 (unknown origin)
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of CYP2C9 (unknown origin)
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of CYP3A4 (unknown origin)
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50043409
(CHEMBL3355474)
Show SMILES
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Novartis Institutes for Biomedical Research
Curated by
ChEMBL
Assay Description
Inhibition of CYP2D6 (unknown origin)
ACS Med Chem Lett
6:
42
-
6
(2015)
Article DOI:
10.1021/ml500352s
BindingDB Entry DOI:
10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
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