BDBM50301113 (3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl pyrrolidine-1-carboxylate::CHEMBL585299

SMILES: CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1

InChI Key: InChIKey=YYMXPNNILUETLE-UFYCRDLUSA-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 = 50301113   

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))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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	471	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))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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	18	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))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	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))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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 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))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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 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))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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 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