BDBM50301112 (5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carbonyl)piperidin-3-yl pyrrolidine-1-carboxylate::CHEMBL586042

SMILES: ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1

InChI Key: InChIKey=QHTFXHUNNOAYME-BSOSBYQFSA-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 = 50301112   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of MMP-3				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of MMP-9				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP-1				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair