BDBM50356208 CHEMBL1910465

SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O

InChI Key: InChIKey=QVVGWBKEGGOLSP-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 = 50356208   

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))	BDBM50356208 (CHEMBL1910465) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O5S/c1-16(2)22(23(26)27)25-31(28,29)21-9-5-19(6-10-21)18-3-7-20(8-4-18)30-15-17-11-13-24-14-12-17/h3-14,16,22,25H,15H2,1-2H3,(H,26,27)/t22-/m1/s1	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM50356208 (CHEMBL1910465) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O5S/c1-16(2)22(23(26)27)25-31(28,29)21-9-5-19(6-10-21)18-3-7-20(8-4-18)30-15-17-11-13-24-14-12-17/h3-14,16,22,25H,15H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair