null

SMILES: CCCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O

InChI Key: InChIKey=ZFNCDKWMDQLULI-JOCHJYFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 30399   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM30399 (piperidinyl glycine derivative, 27f) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C23H32N2O7S3/c1-3-5-16-34(28,29)25-14-12-18(13-15-25)22(23(26)27)24-35(30,31)21-11-10-20(33-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,24H,3-5,12-16H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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	25
Novartis					Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30399 (piperidinyl glycine derivative, 27f) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C23H32N2O7S3/c1-3-5-16-34(28,29)25-14-12-18(13-15-25)22(23(26)27)24-35(30,31)21-11-10-20(33-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,24H,3-5,12-16H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair