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BDBM50133803 CHEMBL3633783

SMILES: Oc1ccccc1C(=O)NNC(=S)NCC=C

InChI Key: InChIKey=RKUJPWNBHAMFMG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50133803   
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))
BDBM50133803
PNG
(CHEMBL3633783)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NCC=C
Show InChI InChI=1S/C11H13N3O2S/c1-2-7-12-11(17)14-13-10(16)8-5-3-4-6-9(8)15/h2-6,15H,1,7H2,(H,13,16)(H2,12,14,17)
PDB
MMDB

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PC cid
PC sid
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PubMed
412n/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))
BDBM50133803
PNG
(CHEMBL3633783)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NCC=C
Show InChI InChI=1S/C11H13N3O2S/c1-2-7-12-11(17)14-13-10(16)8-5-3-4-6-9(8)15/h2-6,15H,1,7H2,(H,13,16)(H2,12,14,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
760n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50133803
PNG
(CHEMBL3633783)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NCC=C
Show InChI InChI=1S/C11H13N3O2S/c1-2-7-12-11(17)14-13-10(16)8-5-3-4-6-9(8)15/h2-6,15H,1,7H2,(H,13,16)(H2,12,14,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 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