BDBM50356961 CHEMBL1916212

SMILES: CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1

InChI Key: InChIKey=ZODGWBSBSVHUNW-XMMPIXPASA-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 = 50356961   

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))	BDBM50356961 (CHEMBL1916212) Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 |r,c:10| Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...				Bioorg Med Chem Lett 21: 6485-90 (2011) Article DOI: 10.1016/j.bmcl.2011.08.068 BindingDB Entry DOI: 10.7270/Q2BP0353
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50356961 (CHEMBL1916212) Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 |r,c:10| Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...				Bioorg Med Chem Lett 21: 6485-90 (2011) Article DOI: 10.1016/j.bmcl.2011.08.068 BindingDB Entry DOI: 10.7270/Q2BP0353
					More data for this Ligand-Target Pair