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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50282539'   
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
Stromelysin-1


(Homo sapiens (Human))		BDBM50282539
PNG
(((R)-1-{(S)-2-[(1-Benzoyl-pyrrolidine-2-carbonyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C40H52N5O7P/c1-27(2)25-34(38(48)43-33-19-12-7-13-20-33)44-37(47)32(23-22-30-15-8-5-9-16-30)26-53(51,52)29(4)42-36(46)28(3)41-39(49)35-21-14-24-45(35)40(50)31-17-10-6-11-18-31/h5-13,15-20,27-29,32,34-35H,14,21-26H2,1-4H3,(H,41,49)(H,42,46)(H,43,48)(H,44,47)(H,51,52)/t28-,29+,32?,34-,35?/m0/s1
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Similars
Article
 20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant stromelysin-1.

Bioorg Med Chem Lett 4: 1221-1224 (1994)


Article DOI: 10.1016/S0960-894X(01)80334-6
BindingDB Entry DOI: 10.7270/Q2125SM3
More data for this
Ligand-Target Pair