BindingDB logo
myBDB logout

BDBM50087247 5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino]-benzenesulfonylamino}-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL158693

SMILES: Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1)S(N)(=O)=O

InChI Key: InChIKey=HRVAZKKEGJGZOW-MOHJPFBDSA-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 = 50087247   
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))
BDBM50087247
PNG
(5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClN5O6S3/c1-25-18(32-19(23-25)33(21,27)28)24-34(29,30)14-5-3-13(4-6-14)22-10-11-8-17(26)31-16-9-12(20)2-7-15(11)16/h2-9,22H,10H2,1H3,(H2,21,27,28)/b24-18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase II


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50087247
PNG
(5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClN5O6S3/c1-25-18(32-19(23-25)33(21,27)28)24-34(29,30)14-5-3-13(4-6-14)22-10-11-8-17(26)31-16-9-12(20)2-7-15(11)16/h2-9,22H,10H2,1H3,(H2,21,27,28)/b24-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.600n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50087247
PNG
(5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClN5O6S3/c1-25-18(32-19(23-25)33(21,27)28)24-34(29,30)14-5-3-13(4-6-14)22-10-11-8-17(26)31-16-9-12(20)2-7-15(11)16/h2-9,22H,10H2,1H3,(H2,21,27,28)/b24-18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase I


Citation and Details
More data for this
Ligand-Target Pair