BDBM50213950 3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hydroxy-1-(isopropylsulfonyl)piperidine-3-carboxamide::CHEMBL250907

SMILES: CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO

InChI Key: InChIKey=RZAVXBHMHDOVTM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50213950   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213950 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H29N3O6S2/c1-4-5-12-21-17-7-9-18(10-8-17)30(26,27)15-20(19(24)22-25)11-6-13-23(14-20)31(28,29)16(2)3/h7-10,16,21,25H,6,11-15H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213950 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H29N3O6S2/c1-4-5-12-21-17-7-9-18(10-8-17)30(26,27)15-20(19(24)22-25)11-6-13-23(14-20)31(28,29)16(2)3/h7-10,16,21,25H,6,11-15H2,1-3H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213950 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H29N3O6S2/c1-4-5-12-21-17-7-9-18(10-8-17)30(26,27)15-20(19(24)22-25)11-6-13-23(14-20)31(28,29)16(2)3/h7-10,16,21,25H,6,11-15H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair