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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50305857'   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50305857
PNG
(CHEMBL594932 | trans-4-((5-(2-(4-fluoro-3-(trifluo...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(c1)C(F)(F)F)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:30.35,wD:27.28,(30.42,-38.58,;29.63,-37.25,;30.37,-35.91,;29.59,-34.59,;28.04,-34.61,;27.29,-35.95,;28.08,-37.28,;25.75,-35.97,;24.99,-37.31,;24.96,-34.65,;23.42,-34.67,;22.63,-33.34,;23.38,-32,;22.6,-30.68,;21.06,-30.7,;20.27,-29.38,;20.3,-32.05,;21.09,-33.37,;18.76,-32.08,;17.97,-30.75,;18.02,-33.42,;17.22,-32.07,;30.34,-33.25,;29.7,-31.84,;30.83,-30.8,;32.17,-31.55,;33.57,-30.91,;34.92,-31.65,;34.94,-33.19,;36.28,-33.94,;37.6,-33.15,;37.57,-31.6,;36.23,-30.86,;38.96,-33.9,;38.98,-35.43,;40.28,-33.1,;31.87,-33.06,)|
Show InChI InChI=1S/C24H24F4N6O3/c1-13-8-17(21-31-33-34(32-21)12-14-2-5-16(6-3-14)23(36)37)10-20(30-13)22(35)29-11-15-4-7-19(25)18(9-15)24(26,27)28/h4,7-10,14,16H,2-3,5-6,11-12H2,1H3,(H,29,35)(H,36,37)/t14-,16-
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MMDB

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Similars
Article
PubMed
 0.620n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs

Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair