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BDBM50154336 (S)-3-Phenyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]-propionic acid methylcarbamoylmethyl with resin::CHEMBL362892

SMILES: CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=XWVDCIAEIKEQHI-INIZCTEOSA-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 = 50154336   
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 2


(Homo sapiens (Human))
BDBM50154336
PNG
((S)-3-Phenyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...)
Show SMILES CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H22N4O5S2/c1-21-17(24)12-28-18(25)16(11-13-5-3-2-4-6-13)23-19(29)22-14-7-9-15(10-8-14)30(20,26)27/h2-10,16H,11-12H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,29)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II


J Med Chem 47: 5224-9 (2004)


Article DOI: 10.1021/jm049692i
BindingDB Entry DOI: 10.7270/Q24F1RHJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50154336
PNG
((S)-3-Phenyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...)
Show SMILES CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H22N4O5S2/c1-21-17(24)12-28-18(25)16(11-13-5-3-2-4-6-13)23-19(29)22-14-7-9-15(10-8-14)30(20,26)27/h2-10,16H,11-12H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,29)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I


J Med Chem 47: 5224-9 (2004)


Article DOI: 10.1021/jm049692i
BindingDB Entry DOI: 10.7270/Q24F1RHJ
More data for this
Ligand-Target Pair