BDBM50026706 CHEMBL1940277

SMILES: CN(Cc1ccncc1)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1

InChI Key: InChIKey=RNUQVLPAAPSKGH-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 = 50026706   

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))	BDBM50026706 (CHEMBL1940277) Show SMILES CN(Cc1ccncc1)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:24.26,(-6.32,-12.3,;-6.32,-10.75,;-7.65,-9.98,;-8.99,-10.74,;-10.33,-9.97,;-11.66,-10.73,;-11.67,-12.28,;-10.33,-13.05,;-8.99,-12.28,;-4.98,-9.99,;-4.97,-8.44,;-3.65,-10.76,;-2.31,-10,;-.98,-10.78,;-.99,-12.32,;.34,-13.09,;1.68,-12.33,;1.69,-10.79,;3.03,-10.03,;4.36,-10.81,;4.35,-12.34,;3.02,-13.11,;5.69,-10.05,;7.03,-9.29,;8.34,-8.51,;8.33,-10.02,;8.32,-6.98,;9.63,-6.2,;11.76,-6.63,;11.79,-8.8,;9.67,-9.24,;10.96,-8.47,;10.94,-6.96,;-2.32,-13.08,;-3.65,-12.31,)| Show InChI InChI=1S/C29H29N3O3/c1-31(20-23-11-16-30-17-12-23)28(33)24-4-8-27(9-5-24)35-26-6-2-22(3-7-26)10-15-29(34)21-32-18-13-25(29)14-19-32/h2-9,11-12,16-17,25,34H,13-14,18-21H2,1H3/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	251	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))	BDBM50026706 (CHEMBL1940277) Show SMILES CN(Cc1ccncc1)C(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:24.26,(-6.32,-12.3,;-6.32,-10.75,;-7.65,-9.98,;-8.99,-10.74,;-10.33,-9.97,;-11.66,-10.73,;-11.67,-12.28,;-10.33,-13.05,;-8.99,-12.28,;-4.98,-9.99,;-4.97,-8.44,;-3.65,-10.76,;-2.31,-10,;-.98,-10.78,;-.99,-12.32,;.34,-13.09,;1.68,-12.33,;1.69,-10.79,;3.03,-10.03,;4.36,-10.81,;4.35,-12.34,;3.02,-13.11,;5.69,-10.05,;7.03,-9.29,;8.34,-8.51,;8.33,-10.02,;8.32,-6.98,;9.63,-6.2,;11.76,-6.63,;11.79,-8.8,;9.67,-9.24,;10.96,-8.47,;10.94,-6.96,;-2.32,-13.08,;-3.65,-12.31,)| Show InChI InChI=1S/C29H29N3O3/c1-31(20-23-11-16-30-17-12-23)28(33)24-4-8-27(9-5-24)35-26-6-2-22(3-7-26)10-15-29(34)21-32-18-13-25(29)14-19-32/h2-9,11-12,16-17,25,34H,13-14,18-21H2,1H3/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	<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