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BDBM50087264 5-[(Z)-7-Chloro-2-oxo-2H-chromen-4-ylmethylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL161443

SMILES: Cn1nc(s\c1=N/Cc1cc(=O)oc2cc(Cl)ccc12)S(N)(=O)=O

InChI Key: InChIKey=OJIHLNZBFOHKCT-VBKFSLOCSA-N

Data: 3 KI

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 3 hits for monomerid = 50087264   
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 2


(Homo sapiens (Human))
BDBM50087264
PNG
(5-[(Z)-7-Chloro-2-oxo-2H-chromen-4-ylmethylimino]-...)
Show SMILES Cn1nc(s\c1=N/Cc1cc(=O)oc2cc(Cl)ccc12)S(N)(=O)=O
Show InChI InChI=1S/C13H11ClN4O4S2/c1-18-12(23-13(17-18)24(15,20)21)16-6-7-4-11(19)22-10-5-8(14)2-3-9(7)10/h2-5H,6H2,1H3,(H2,15,20,21)/b16-12-
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase II


Bioorg Med Chem Lett 10: 673-6 (2000)


BindingDB Entry DOI: 10.7270/Q2RV0P61
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50087264
PNG
(5-[(Z)-7-Chloro-2-oxo-2H-chromen-4-ylmethylimino]-...)
Show SMILES Cn1nc(s\c1=N/Cc1cc(=O)oc2cc(Cl)ccc12)S(N)(=O)=O
Show InChI InChI=1S/C13H11ClN4O4S2/c1-18-12(23-13(17-18)24(15,20)21)16-6-7-4-11(19)22-10-5-8(14)2-3-9(7)10/h2-5H,6H2,1H3,(H2,15,20,21)/b16-12-
Reactome pathway
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PC cid
PC sid
UniChem
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine Carbonic anhydrase IV determined by esterase method


Bioorg Med Chem Lett 10: 673-6 (2000)


BindingDB Entry DOI: 10.7270/Q2RV0P61
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087264
PNG
(5-[(Z)-7-Chloro-2-oxo-2H-chromen-4-ylmethylimino]-...)
Show SMILES Cn1nc(s\c1=N/Cc1cc(=O)oc2cc(Cl)ccc12)S(N)(=O)=O
Show InChI InChI=1S/C13H11ClN4O4S2/c1-18-12(23-13(17-18)24(15,20)21)16-6-7-4-11(19)22-10-5-8(14)2-3-9(7)10/h2-5H,6H2,1H3,(H2,15,20,21)/b16-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
29n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase I


Bioorg Med Chem Lett 10: 673-6 (2000)


BindingDB Entry DOI: 10.7270/Q2RV0P61
More data for this
Ligand-Target Pair