BindingDB PrimarySearch

BDBM50279256 CHEMBL527018::D-2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methyl-1H-indol-3-yl)propanoic acid::N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O

InChI Key: InChIKey=SFVPXERGVLDWIS-OAQYLSRUSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50279256
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50279256 (CHEMBL527018 \| D-2-(4-(but-2-ynyloxy)phenylsulfona...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14 by FLIPR assay				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50279256 (CHEMBL527018 \| D-2-(4-(but-2-ynyloxy)phenylsulfona...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	140	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 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50279256 (CHEMBL527018 \| D-2-(4-(but-2-ynyloxy)phenylsulfona...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP1 by FLIPR assay				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50279256 (CHEMBL527018 \| D-2-(4-(but-2-ynyloxy)phenylsulfona...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13 by FLIPR assay				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Mus musculus (Mouse))	BDBM50279256 (CHEMBL527018 \| D-2-(4-(but-2-ynyloxy)phenylsulfona...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs...				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50279256 (CHEMBL527018 \| D-2-(4-(but-2-ynyloxy)phenylsulfona...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2 by FLIPR assay				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair