null

SMILES: CN(Cc1cc(C)no1)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1

InChI Key: InChIKey=HVWVSAVLGKOEBY-NDEPHWFRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026700   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50026700 (CHEMBL1940291) Show SMILES CN(Cc1cc(C)no1)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:24.26,(-6.79,-36.83,;-6.78,-35.29,;-8.12,-34.51,;-9.45,-35.28,;-10.93,-34.81,;-11.83,-36.06,;-13.38,-36.07,;-10.92,-37.31,;-9.45,-36.82,;-5.44,-34.52,;-5.44,-32.98,;-4.11,-35.3,;-2.77,-34.54,;-1.44,-35.32,;-1.45,-36.85,;-.12,-37.63,;1.22,-36.87,;1.23,-35.32,;2.57,-34.57,;3.89,-35.35,;3.89,-36.88,;2.55,-37.64,;5.23,-34.59,;6.57,-33.83,;7.88,-33.04,;7.86,-34.56,;7.86,-31.52,;9.17,-30.74,;11.29,-31.16,;11.33,-33.34,;9.2,-33.78,;10.49,-33.01,;10.48,-31.5,;-2.78,-37.62,;-4.11,-36.85,)| Show InChI InChI=1S/C28H29N3O4/c1-20-17-26(35-29-20)18-30(2)27(32)22-5-9-25(10-6-22)34-24-7-3-21(4-8-24)11-14-28(33)19-31-15-12-23(28)13-16-31/h3-10,17,23,33H,12-13,15-16,18-19H2,1-2H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50026700 (CHEMBL1940291) Show SMILES CN(Cc1cc(C)no1)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:24.26,(-6.79,-36.83,;-6.78,-35.29,;-8.12,-34.51,;-9.45,-35.28,;-10.93,-34.81,;-11.83,-36.06,;-13.38,-36.07,;-10.92,-37.31,;-9.45,-36.82,;-5.44,-34.52,;-5.44,-32.98,;-4.11,-35.3,;-2.77,-34.54,;-1.44,-35.32,;-1.45,-36.85,;-.12,-37.63,;1.22,-36.87,;1.23,-35.32,;2.57,-34.57,;3.89,-35.35,;3.89,-36.88,;2.55,-37.64,;5.23,-34.59,;6.57,-33.83,;7.88,-33.04,;7.86,-34.56,;7.86,-31.52,;9.17,-30.74,;11.29,-31.16,;11.33,-33.34,;9.2,-33.78,;10.49,-33.01,;10.48,-31.5,;-2.78,-37.62,;-4.11,-36.85,)| Show InChI InChI=1S/C28H29N3O4/c1-20-17-26(35-29-20)18-30(2)27(32)22-5-9-25(10-6-22)34-24-7-3-21(4-8-24)11-14-28(33)19-31-15-12-23(28)13-16-31/h3-10,17,23,33H,12-13,15-16,18-19H2,1-2H3/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair