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SMILES: Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12

InChI Key: InChIKey=NNOYFTHOJCHELA-UHFFFAOYSA-N

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 = 50367289   
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50367289
PNG
(CHEMBL1441824)
Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)
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Article
PubMed
7.40n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method


ACS Med Chem Lett 9: 725-729 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00170
BindingDB Entry DOI: 10.7270/Q21Z46Z4
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50367289
PNG
(CHEMBL1441824)
Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)
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18n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method


ACS Med Chem Lett 9: 725-729 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00170
BindingDB Entry DOI: 10.7270/Q21Z46Z4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50367289
PNG
(CHEMBL1441824)
Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration method


ACS Med Chem Lett 9: 725-729 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00170
BindingDB Entry DOI: 10.7270/Q21Z46Z4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50367289
PNG
(CHEMBL1441824)
Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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



University of Cagliari

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 1 by stopped flow CO2 hydration method


ACS Med Chem Lett 9: 725-729 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00170
BindingDB Entry DOI: 10.7270/Q21Z46Z4
More data for this
Ligand-Target Pair