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BDBM50093871 (2R,3R)-2-(2,5-Dichloro-benzenesulfonylamino)-3-methyl-pentanoic acid ((R)-1-hydroxycarbamoyl-2-thiazol-4-yl-ethyl)-amide::CHEMBL83631

SMILES: CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO

InChI Key: InChIKey=IBUUYYLRRDMAMG-QSGSBWRWSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093871   
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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50093871
PNG
((2R,3R)-2-(2,5-Dichloro-benzenesulfonylamino)-3-me...)
Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C18H22Cl2N4O5S2/c1-3-10(2)16(24-31(28,29)15-6-11(19)4-5-13(15)20)18(26)22-14(17(25)23-27)7-12-8-30-9-21-12/h4-6,8-10,14,16,24,27H,3,7H2,1-2H3,(H,22,26)(H,23,25)/t10-,14-,16-/m1/s1
PDB
MMDB

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PC sid
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Similars

PubMed
n/an/a 29n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair