BindingDB logo
myBDB logout

BDBM50101370 (S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL52542

SMILES: NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=UMFDXGBKSZDUEU-ZDUSSCGKSA-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 = 50101370   
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))
BDBM50101370
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hyd...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
115n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101370
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hyd...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101370
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hyd...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
325n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair