BDBM50026712 CHEMBL1940281

SMILES: O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1

InChI Key: InChIKey=FJMHXOYGOGYKAU-LJAQVGFWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026712   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50026712 (CHEMBL1940281) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1 |r,wU:1.0,(9.13,-32.6,;9.15,-31.08,;9.13,-29.55,;10.44,-28.78,;12.56,-29.2,;12.6,-31.37,;10.47,-31.82,;11.76,-31.04,;11.75,-29.54,;7.84,-31.86,;6.5,-32.62,;5.16,-33.38,;3.83,-32.6,;2.5,-33.36,;2.49,-34.9,;1.15,-35.67,;-.18,-34.89,;-.17,-33.35,;-1.5,-32.57,;-2.84,-33.34,;-2.84,-34.89,;-1.51,-35.66,;-4.17,-32.56,;-4.17,-31.02,;-5.51,-33.33,;-6.85,-32.55,;-8.19,-33.32,;-9.52,-32.54,;-10.86,-33.31,;-10.87,-34.85,;-9.52,-35.63,;-8.19,-34.86,;3.82,-35.68,;5.16,-34.92,)| Show InChI InChI=1S/C29H28N2O3/c32-28(30-20-23-4-2-1-3-5-23)24-8-12-27(13-9-24)34-26-10-6-22(7-11-26)14-17-29(33)21-31-18-15-25(29)16-19-31/h1-13,25,33H,15-16,18-21H2,(H,30,32)/t29-/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	63	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50026712 (CHEMBL1940281) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1 |r,wU:1.0,(9.13,-32.6,;9.15,-31.08,;9.13,-29.55,;10.44,-28.78,;12.56,-29.2,;12.6,-31.37,;10.47,-31.82,;11.76,-31.04,;11.75,-29.54,;7.84,-31.86,;6.5,-32.62,;5.16,-33.38,;3.83,-32.6,;2.5,-33.36,;2.49,-34.9,;1.15,-35.67,;-.18,-34.89,;-.17,-33.35,;-1.5,-32.57,;-2.84,-33.34,;-2.84,-34.89,;-1.51,-35.66,;-4.17,-32.56,;-4.17,-31.02,;-5.51,-33.33,;-6.85,-32.55,;-8.19,-33.32,;-9.52,-32.54,;-10.86,-33.31,;-10.87,-34.85,;-9.52,-35.63,;-8.19,-34.86,;3.82,-35.68,;5.16,-34.92,)| Show InChI InChI=1S/C29H28N2O3/c32-28(30-20-23-4-2-1-3-5-23)24-8-12-27(13-9-24)34-26-10-6-22(7-11-26)14-17-29(33)21-31-18-15-25(29)16-19-31/h1-13,25,33H,15-16,18-21H2,(H,30,32)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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