BDBM50152924 CHEMBL184553::N-Hydroxy-2-{1-isopropyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-pyrrolidin-3-yl}-acetamide

SMILES: CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1

InChI Key: InChIKey=AENHIDVKFOYIJJ-UHFFFAOYSA-N

Data: 4 KI  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 6 hits for monomerid = 50152924   

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))	BDBM50152924 (CHEMBL184553 | N-Hydroxy-2-{1-isopropyl-3-[4-(2-me...) Show SMILES CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 Show InChI InChI=1S/C27H33N3O5S/c1-19(2)30-13-12-27(17-30,15-26(31)29-32)18-36(33,34)23-10-8-22(9-11-23)35-16-21-14-20(3)28-25-7-5-4-6-24(21)25/h4-11,14,19,32H,12-13,15-18H2,1-3H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13 (MMP-13)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50152924 (CHEMBL184553 | N-Hydroxy-2-{1-isopropyl-3-[4-(2-me...) Show SMILES CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 Show InChI InChI=1S/C27H33N3O5S/c1-19(2)30-13-12-27(17-30,15-26(31)29-32)18-36(33,34)23-10-8-22(9-11-23)35-16-21-14-20(3)28-25-7-5-4-6-24(21)25/h4-11,14,19,32H,12-13,15-18H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description inhibition of Matrix metalloprotease-2 (MMP-2)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50152924 (CHEMBL184553 | N-Hydroxy-2-{1-isopropyl-3-[4-(2-me...) Show SMILES CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 Show InChI InChI=1S/C27H33N3O5S/c1-19(2)30-13-12-27(17-30,15-26(31)29-32)18-36(33,34)23-10-8-22(9-11-23)35-16-21-14-20(3)28-25-7-5-4-6-24(21)25/h4-11,14,19,32H,12-13,15-18H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50152924 (CHEMBL184553 | N-Hydroxy-2-{1-isopropyl-3-[4-(2-me...) Show SMILES CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 Show InChI InChI=1S/C27H33N3O5S/c1-19(2)30-13-12-27(17-30,15-26(31)29-32)18-36(33,34)23-10-8-22(9-11-23)35-16-21-14-20(3)28-25-7-5-4-6-24(21)25/h4-11,14,19,32H,12-13,15-18H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
ADAM17 (Sus scrofa (pig))	BDBM50152924 (CHEMBL184553 | N-Hydroxy-2-{1-isopropyl-3-[4-(2-me...) Show SMILES CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 Show InChI InChI=1S/C27H33N3O5S/c1-19(2)30-13-12-27(17-30,15-26(31)29-32)18-36(33,34)23-10-8-22(9-11-23)35-16-21-14-20(3)28-25-7-5-4-6-24(21)25/h4-11,14,19,32H,12-13,15-18H2,1-3H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50152924 (CHEMBL184553 | N-Hydroxy-2-{1-isopropyl-3-[4-(2-me...) Show SMILES CC(C)N1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 Show InChI InChI=1S/C27H33N3O5S/c1-19(2)30-13-12-27(17-30,15-26(31)29-32)18-36(33,34)23-10-8-22(9-11-23)35-16-21-14-20(3)28-25-7-5-4-6-24(21)25/h4-11,14,19,32H,12-13,15-18H2,1-3H3,(H,29,31)	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effect on TNF-Alpha release in LPS-stimulated human whole blood assay				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair