BDBM50227996 (6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro-2H-pyridine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid isobutyl ester::CHEMBL403185

SMILES: CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO

InChI Key: InChIKey=PEAOAVRAGQRJEO-AKQSQHNNSA-N

Data: 6 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 = 50227996   

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-9 (Homo sapiens (Human))	BDBM50227996 ((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...) Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23| Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/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	451	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP9				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50227996 ((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...) Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23| Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50227996 ((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...) Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23| Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/s1	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50227996 ((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...) Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23| Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227996 ((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...) Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23| Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP3				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50227996 ((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...) Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23| Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP1				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair