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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAMTS5' and Ligand = 'BDBM379696'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379696
PNG
(US9926281, Compound 249)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CN(C1)C(C)=O)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C23H29F2N5O4/c1-13(9-23(21(33)26-22(34)27-23)16-11-29(12-16)15(3)31)20(32)28-6-7-30(14(2)10-28)17-4-5-18(24)19(25)8-17/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3,(H2,26,27,33,34)/t13?,14-,23?/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair