BDBM50072574 (7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carbonyl)-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7-carboxylic acid hydroxyamide::CHEMBL320045

SMILES: CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO

InChI Key: InChIKey=FXEYKJYOHRTUNG-VWPQPMDRSA-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 = 50072574   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50072574 ((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50072574 ((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 3				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50072574 ((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNF				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50072574 ((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 7				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair