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BDBM50093840 (2S,3S)-2-(4,5-Dibromo-thiophene-2-sulfonylamino)-3-methyl-pentanoic acid (1-hydroxycarbamoyl-2-thiazol-4-yl-ethyl)-amide::CHEMBL313708

SMILES: CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Br)c(Br)s1)C(=O)NC(Cc1cscn1)C(=O)NO

InChI Key: InChIKey=YHXYBKTUMVXYMZ-KYOKGBGQSA-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 = 50093840   
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))
BDBM50093840
PNG
((2S,3S)-2-(4,5-Dibromo-thiophene-2-sulfonylamino)-...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Br)c(Br)s1)C(=O)NC(Cc1cscn1)C(=O)NO
Show InChI InChI=1S/C16H20Br2N4O5S3/c1-3-8(2)13(22-30(26,27)12-5-10(17)14(18)29-12)16(24)20-11(15(23)21-25)4-9-6-28-7-19-9/h5-8,11,13,22,25H,3-4H2,1-2H3,(H,20,24)(H,21,23)/t8-,11?,13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 32n/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