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BDBM50377337 CHEMBL255710

SMILES: CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O

InChI Key: InChIKey=JSZPRBQUPHQWPI-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 = 50377337   
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 9


(Homo sapiens (Human))
BDBM50377337
PNG
(CHEMBL255710)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-6-5-7-13(8-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
132n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 3475-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.051
BindingDB Entry DOI: 10.7270/Q2HH6KZ9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50377337
PNG
(CHEMBL255710)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-6-5-7-13(8-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
165n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 3475-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.051
BindingDB Entry DOI: 10.7270/Q2HH6KZ9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50377337
PNG
(CHEMBL255710)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H25N4O3S2/c1-15(2)9-12(10-16(3,4)20(15)21)19-14(24)18-11-6-5-7-13(8-11)25(17,22)23/h5-8,12H,9-10H2,1-4H3,(H2,17,22,23)(H2,18,19,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 3475-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.051
BindingDB Entry DOI: 10.7270/Q2HH6KZ9
More data for this
Ligand-Target Pair