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Compile Data Set for Download or QSAR
Found
9
hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM12342'
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
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>100
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Università degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method
Bioorg Med Chem Lett
20:
7255
-
8
(2010)
Article DOI:
10.1016/j.bmcl.2010.10.094
BindingDB Entry DOI:
10.7270/Q2416X9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
9.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universita degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay
J Med Chem
53:
335
-
44
(2010)
Article DOI:
10.1021/jm901287j
BindingDB Entry DOI:
10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay
J Med Chem
59:
462
-
73
(2016)
Article DOI:
10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI:
10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
Bioorg Med Chem Lett
22:
267
-
70
(2011)
Article DOI:
10.1016/j.bmcl.2011.11.018
BindingDB Entry DOI:
10.7270/Q22Z15ZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Latvian Association of Human Genetics
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method
J Med Chem
56:
293
-
300
(2013)
Article DOI:
10.1021/jm301625s
BindingDB Entry DOI:
10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>2.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 9 after 6 hrs by stop-flow CO2 hydration assay
Bioorg Med Chem
20:
2266
-
73
(2012)
Article DOI:
10.1016/j.bmc.2012.02.014
BindingDB Entry DOI:
10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>2.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
Bioorg Med Chem Lett
22:
2182
-
5
(2012)
Article DOI:
10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI:
10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>5.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay
J Med Chem
54:
8271
-
7
(2011)
Article DOI:
10.1021/jm200983e
BindingDB Entry DOI:
10.7270/Q2KP82MQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES
O=c1ccc2ccccc2o1
Show InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Griffith University
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay
Bioorg Med Chem
21:
1539
-
43
(2013)
Article DOI:
10.1016/j.bmc.2012.07.021
BindingDB Entry DOI:
10.7270/Q2S75HNS
More data for this
Ligand-Target Pair
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