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BDBM50133862 CHEMBL3633777

SMILES: O=C(NNC(=S)NCc1ccccc1)c1ccncc1

InChI Key: InChIKey=XFSPROBIMFEXRO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50133862   
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))
BDBM50133862
PNG
(CHEMBL3633777)
Show SMILES O=C(NNC(=S)NCc1ccccc1)c1ccncc1
Show InChI InChI=1S/C14H14N4OS/c19-13(12-6-8-15-9-7-12)17-18-14(20)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H2,16,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
49n/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))
BDBM50133862
PNG
(CHEMBL3633777)
Show SMILES O=C(NNC(=S)NCc1ccccc1)c1ccncc1
Show InChI InChI=1S/C14H14N4OS/c19-13(12-6-8-15-9-7-12)17-18-14(20)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H2,16,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
964n/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