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BDBM50171026 4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido]-ethyl}-benzenesulfonamide::CHEMBL180936

SMILES: NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=JWNROMXOJKZLFC-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50171026   
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 12


(Homo sapiens (Human))
BDBM50171026
PNG
(4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...)
Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)
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PC cid
PC sid
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171026
PNG
(4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...)
Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)
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PubMed
16n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171026
PNG
(4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...)
Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)
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PC sid
UniChem
Article
PubMed
74n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair