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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50167500'   
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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50167500
PNG
(5-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-5-[4-(2-met...)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C33H31N5O5/c1-21-19-24(28-5-3-4-6-29(28)34-21)20-43-27-13-9-25(10-14-27)33(30(40)35-32(42)36-31(33)41)38-17-15-37(16-18-38)26-11-7-23(8-12-26)22(2)39/h3-14,19H,15-18,20H2,1-2H3,(H2,35,36,40,41,42)
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Article
PubMed
>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against matrix metalloprotease 1

Bioorg Med Chem Lett 15: 2970-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B
More data for this
Ligand-Target Pair