BDBM50418804 CHEMBL1796301

SMILES: OC1(CN2CCC1CC2)\C=C\c1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1

InChI Key: InChIKey=UENRBBCWNNBMTO-UKTHLTGXSA-N

Data: 1 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 1 hit for monomerid = 50418804   

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))	BDBM50418804 (CHEMBL1796301) Show SMILES OC1(CN2CCC1CC2)\C=C\c1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |(46.73,-2.15,;45.97,-3.49,;47.5,-3.49,;48.28,-4.82,;47.51,-6.16,;45.96,-6.16,;45.19,-4.83,;46.52,-4.04,;46.92,-5.53,;45.2,-2.15,;43.67,-2.17,;42.89,-.84,;41.35,-.84,;40.58,.5,;41.36,1.83,;40.59,3.16,;39.05,3.16,;38.28,1.83,;36.74,1.83,;35.97,3.16,;36.73,4.49,;38.28,4.49,;34.43,3.15,;33.66,4.49,;33.66,1.82,;32.12,1.81,;31.35,3.14,;32.12,4.48,;31.35,5.81,;29.81,5.81,;29.04,4.46,;29.82,3.13,;42.89,1.83,;43.67,.5,)| Show InChI InChI=1S/C27H28N4O3/c32-26(29-17-23-10-14-28-19-30-23)21-3-7-25(8-4-21)34-24-5-1-20(2-6-24)9-13-27(33)18-31-15-11-22(27)12-16-31/h1-10,13-14,19,22,33H,11-12,15-18H2,(H,29,32)/b13-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate				Bioorg Med Chem Lett 21: 4215-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.075 BindingDB Entry DOI: 10.7270/Q2WH2R89
					More data for this Ligand-Target Pair