BDBM50213943 CHEMBL250297::tert-butyl 3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-3-(hydroxycarbamoyl)piperidine-1-carboxylate

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO

InChI Key: InChIKey=NYRVSWKULSLJMD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50213943   

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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50213943 (CHEMBL250297 | tert-butyl 3-((4-(but-2-ynyloxy)phe...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C22H30N2O7S/c1-5-6-14-30-17-8-10-18(11-9-17)32(28,29)16-22(19(25)23-27)12-7-13-24(15-22)20(26)31-21(2,3)4/h8-11,27H,7,12-16H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213943 (CHEMBL250297 | tert-butyl 3-((4-(but-2-ynyloxy)phe...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C22H30N2O7S/c1-5-6-14-30-17-8-10-18(11-9-17)32(28,29)16-22(19(25)23-27)12-7-13-24(15-22)20(26)31-21(2,3)4/h8-11,27H,7,12-16H2,1-4H3,(H,23,25)	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	2.23E+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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213943 (CHEMBL250297 | tert-butyl 3-((4-(but-2-ynyloxy)phe...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C22H30N2O7S/c1-5-6-14-30-17-8-10-18(11-9-17)32(28,29)16-22(19(25)23-27)12-7-13-24(15-22)20(26)31-21(2,3)4/h8-11,27H,7,12-16H2,1-4H3,(H,23,25)	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	15	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
Collagenase 3 (Homo sapiens (Human))	BDBM50213943 (CHEMBL250297 | tert-butyl 3-((4-(but-2-ynyloxy)phe...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C22H30N2O7S/c1-5-6-14-30-17-8-10-18(11-9-17)32(28,29)16-22(19(25)23-27)12-7-13-24(15-22)20(26)31-21(2,3)4/h8-11,27H,7,12-16H2,1-4H3,(H,23,25)	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	2.86E+3	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