BDBM50301120 (3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl azocane-1-carboxylate::CHEMBL572045

SMILES: CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCCC1

InChI Key: InChIKey=MIUJFEWUCGLALV-VABKMULXSA-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 = 50301120   

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))	BDBM50301120 ((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)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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	26	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50301120 ((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)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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	1.48E+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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301120 ((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)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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	27.5	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))	BDBM50301120 ((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)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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))	BDBM50301120 ((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)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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))	BDBM50301120 ((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)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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