BDBM50026872 CHEMBL1233506::SC-74020

SMILES: CCCCCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO

InChI Key: InChIKey=YJNCFXPJICILOK-HHHXNRCGSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50026872   

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))	BDBM50026872 (CHEMBL1233506 | SC-74020) Show SMILES CCCCCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl) Curated by ChEMBL					Assay Description Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...				Bioorg Med Chem 20: 2323-37 (2012) Article DOI: 10.1016/j.bmc.2012.02.010 BindingDB Entry DOI: 10.7270/Q2N29XD5
					More data for this Ligand-Target Pair