BindingDB logo
myBDB logout

BDBM50475763 CHEMBL205542

SMILES: NCCCC(=O)Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1

InChI Key: InChIKey=XYBHKYJQAPXXEW-UHFFFAOYSA-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 = 50475763   
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))
BDBM50475763
PNG
(CHEMBL205542)
Show SMILES NCCCC(=O)Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H18N6O3S/c15-8-1-2-13(21)20-14-17-9-7-12(19-14)18-10-3-5-11(6-4-10)24(16,22)23/h3-7,9H,1-2,8,15H2,(H2,16,22,23)(H2,17,18,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
9.09E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 2044-51 (2006)


BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50475763
PNG
(CHEMBL205542)
Show SMILES NCCCC(=O)Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H18N6O3S/c15-8-1-2-13(21)20-14-17-9-7-12(19-14)18-10-3-5-11(6-4-10)24(16,22)23/h3-7,9H,1-2,8,15H2,(H2,16,22,23)(H2,17,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
5.00E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine CA4


Bioorg Med Chem Lett 16: 2044-51 (2006)


BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50475763
PNG
(CHEMBL205542)
Show SMILES NCCCC(=O)Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H18N6O3S/c15-8-1-2-13(21)20-14-17-9-7-12(19-14)18-10-3-5-11(6-4-10)24(16,22)23/h3-7,9H,1-2,8,15H2,(H2,16,22,23)(H2,17,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
5.10E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA1


Bioorg Med Chem Lett 16: 2044-51 (2006)


BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair