BDBM50320439 CHEMBL1084298::N-hydroxy-4-(4-(4-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide

SMILES: ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ncccn1

InChI Key: InChIKey=ITQUODOQSFVYAA-UHFFFAOYSA-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 = 50320439   

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))	BDBM50320439 (CHEMBL1084298 | N-hydroxy-4-(4-(4-(4-(pyrimidin-2-...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C26H34N6O6S/c33-23(31-14-16-32(17-15-31)25-27-10-1-11-28-25)20-6-12-30(13-7-20)21-2-4-22(5-3-21)39(36,37)26(24(34)29-35)8-18-38-19-9-26/h1-5,10-11,20,35H,6-9,12-19H2,(H,29,34)	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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50320439 (CHEMBL1084298 | N-hydroxy-4-(4-(4-(4-(pyrimidin-2-...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C26H34N6O6S/c33-23(31-14-16-32(17-15-31)25-27-10-1-11-28-25)20-6-12-30(13-7-20)21-2-4-22(5-3-21)39(36,37)26(24(34)29-35)8-18-38-19-9-26/h1-5,10-11,20,35H,6-9,12-19H2,(H,29,34)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
					More data for this Ligand-Target Pair