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BDBM50069597 (2R,3S)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-2-isobutyl-3-(thiophen-2-ylsulfanylmethyl)-succinamide::CHEMBL424251

SMILES: CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=ZCJSXQVUNXJVQQ-SQNIBIBYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50069597   
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
Immunoglobulin epsilon Fc receptor


(Homo sapiens (Human))
BDBM50069597
PNG
((2R,3S)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*...)
Show SMILES CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H29N3O4S2/c1-14(2)11-16(17(22(28)25-29)13-31-19-9-6-10-30-19)21(27)24-18(20(23)26)12-15-7-4-3-5-8-15/h3-10,14,16-18,29H,11-13H2,1-2H3,(H2,23,26)(H,24,27)(H,25,28)/t16-,17+,18+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells


Bioorg Med Chem Lett 8: 29-34 (1999)


Article DOI: 10.1016/s0960-894x(97)10149-4
BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50069597
PNG
((2R,3S)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*...)
Show SMILES CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C22H29N3O4S2/c1-14(2)11-16(17(22(28)25-29)13-31-19-9-6-10-30-19)21(27)24-18(20(23)26)12-15-7-4-3-5-8-15/h3-10,14,16-18,29H,11-13H2,1-2H3,(H2,23,26)(H,24,27)(H,25,28)/t16-,17+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards human recombinant fibroblast collagenase


Bioorg Med Chem Lett 8: 29-34 (1999)


Article DOI: 10.1016/s0960-894x(97)10149-4
BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair