BDBM50227998 (6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridine-1-carbonyl)-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide::CHEMBL252877

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

InChI Key: InChIKey=ZOHXHAYMXURWLP-MNNMKWMVSA-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 = 50227998   

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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50227998 ((6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridi...) Show SMILES CC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:16.21,c:19| Show InChI InChI=1S/C22H27N3O4/c1-15(26)25-14-22(9-10-22)13-18(20(27)23-29)19(25)21(28)24-11-7-17(8-12-24)16-5-3-2-4-6-16/h2-7,11,17-19,29H,8-10,12-14H2,1H3,(H,23,27)/t17?,18-,19-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to ADAM10				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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50227998 ((6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridi...) Show SMILES CC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:16.21,c:19| Show InChI InChI=1S/C22H27N3O4/c1-15(26)25-14-22(9-10-22)13-18(20(27)23-29)19(25)21(28)24-11-7-17(8-12-24)16-5-3-2-4-6-16/h2-7,11,17-19,29H,8-10,12-14H2,1H3,(H,23,27)/t17?,18-,19-/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	160	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50227998 ((6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridi...) Show SMILES CC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:16.21,c:19| Show InChI InChI=1S/C22H27N3O4/c1-15(26)25-14-22(9-10-22)13-18(20(27)23-29)19(25)21(28)24-11-7-17(8-12-24)16-5-3-2-4-6-16/h2-7,11,17-19,29H,8-10,12-14H2,1H3,(H,23,27)/t17?,18-,19-/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 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))	BDBM50227998 ((6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridi...) Show SMILES CC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:16.21,c:19| Show InChI InChI=1S/C22H27N3O4/c1-15(26)25-14-22(9-10-22)13-18(20(27)23-29)19(25)21(28)24-11-7-17(8-12-24)16-5-3-2-4-6-16/h2-7,11,17-19,29H,8-10,12-14H2,1H3,(H,23,27)/t17?,18-,19-/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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50227998 ((6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridi...) Show SMILES CC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:16.21,c:19| Show InChI InChI=1S/C22H27N3O4/c1-15(26)25-14-22(9-10-22)13-18(20(27)23-29)19(25)21(28)24-11-7-17(8-12-24)16-5-3-2-4-6-16/h2-7,11,17-19,29H,8-10,12-14H2,1H3,(H,23,27)/t17?,18-,19-/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	50	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))	BDBM50227998 ((6S,7S)-5-acetyl-6-(4-phenyl-3,4-dihydro-2H-pyridi...) Show SMILES CC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:16.21,c:19| Show InChI InChI=1S/C22H27N3O4/c1-15(26)25-14-22(9-10-22)13-18(20(27)23-29)19(25)21(28)24-11-7-17(8-12-24)16-5-3-2-4-6-16/h2-7,11,17-19,29H,8-10,12-14H2,1H3,(H,23,27)/t17?,18-,19-/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	72	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