BDBM50026714 CHEMBL1940280

SMILES: O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)Nc2ccccn2)cc1

InChI Key: InChIKey=IUJKVSRFVDSMJK-MHZLTWQESA-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 = 50026714   

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))	BDBM50026714 (CHEMBL1940280) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)Nc2ccccn2)cc1 |r,wU:1.0,(35.55,-19.47,;35.56,-17.96,;35.54,-16.43,;36.85,-15.65,;38.97,-16.08,;39.01,-18.25,;36.88,-18.69,;38.18,-17.92,;38.16,-16.41,;34.25,-18.74,;32.91,-19.5,;31.57,-20.26,;30.25,-19.48,;28.91,-20.24,;28.9,-21.78,;27.56,-22.54,;26.23,-21.77,;26.24,-20.23,;24.91,-19.45,;23.57,-20.21,;23.57,-21.76,;24.9,-22.53,;22.24,-19.44,;22.24,-17.89,;20.9,-20.2,;19.56,-19.43,;19.58,-17.89,;18.25,-17.11,;16.91,-17.88,;16.9,-19.43,;18.24,-20.2,;30.24,-22.56,;31.57,-21.79,)| Show InChI InChI=1S/C27H25N3O3/c31-26(29-25-3-1-2-16-28-25)21-6-10-24(11-7-21)33-23-8-4-20(5-9-23)12-15-27(32)19-30-17-13-22(27)14-18-30/h1-11,16,22,32H,13-14,17-19H2,(H,28,29,31)/t27-/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	316	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))	BDBM50026714 (CHEMBL1940280) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)Nc2ccccn2)cc1 |r,wU:1.0,(35.55,-19.47,;35.56,-17.96,;35.54,-16.43,;36.85,-15.65,;38.97,-16.08,;39.01,-18.25,;36.88,-18.69,;38.18,-17.92,;38.16,-16.41,;34.25,-18.74,;32.91,-19.5,;31.57,-20.26,;30.25,-19.48,;28.91,-20.24,;28.9,-21.78,;27.56,-22.54,;26.23,-21.77,;26.24,-20.23,;24.91,-19.45,;23.57,-20.21,;23.57,-21.76,;24.9,-22.53,;22.24,-19.44,;22.24,-17.89,;20.9,-20.2,;19.56,-19.43,;19.58,-17.89,;18.25,-17.11,;16.91,-17.88,;16.9,-19.43,;18.24,-20.2,;30.24,-22.56,;31.57,-21.79,)| Show InChI InChI=1S/C27H25N3O3/c31-26(29-25-3-1-2-16-28-25)21-6-10-24(11-7-21)33-23-8-4-20(5-9-23)12-15-27(32)19-30-17-13-22(27)14-18-30/h1-11,16,22,32H,13-14,17-19H2,(H,28,29,31)/t27-/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	<1.00E+4	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