BDBM30398 piperidinyl glycine derivative, 27e

SMILES: CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)CC(C)C)C(O)=O

InChI Key: InChIKey=BMHIZVXENVBSST-JOCHJYFZSA-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 = 30398   

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))	BDBM30398 (piperidinyl glycine derivative, 27e) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)CC(C)C)C(O)=O |r| Show InChI InChI=1S/C23H32N2O7S3/c1-4-32-19-7-5-17(6-8-19)20-9-10-21(33-20)35(30,31)24-22(23(26)27)18-11-13-25(14-12-18)34(28,29)15-16(2)3/h5-10,16,18,22,24H,4,11-15H2,1-3H3,(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))	BDBM30398 (piperidinyl glycine derivative, 27e) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)CC(C)C)C(O)=O |r| Show InChI InChI=1S/C23H32N2O7S3/c1-4-32-19-7-5-17(6-8-19)20-9-10-21(33-20)35(30,31)24-22(23(26)27)18-11-13-25(14-12-18)34(28,29)15-16(2)3/h5-10,16,18,22,24H,4,11-15H2,1-3H3,(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	5.5	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