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BDBM50133863 CHEMBL3127420

SMILES: Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1

InChI Key: InChIKey=CAPKWGXKALABBY-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133863   
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 1


(Homo sapiens (Human))
BDBM50133863
PNG
(CHEMBL3127420)
Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H14N4OS/c1-10-2-4-12(5-3-10)16-14(20)18-17-13(19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)(H2,16,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
47n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 5636-41 (2015)


BindingDB Entry DOI: 10.7270/Q251412B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50133863
PNG
(CHEMBL3127420)
Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H14N4OS/c1-10-2-4-12(5-3-10)16-14(20)18-17-13(19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)(H2,16,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.12E+3n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 5636-41 (2015)


BindingDB Entry DOI: 10.7270/Q251412B
More data for this
Ligand-Target Pair