BDBM50301102 (3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl azetidine-1-carboxylate::CHEMBL584334

SMILES: CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC1

InChI Key: InChIKey=KSBCPHOBEZMZNM-FHWLQOOXSA-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 = 50301102   

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))	BDBM50301102 ((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)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/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	20	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))	BDBM50301102 ((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)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/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	432	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))	BDBM50301102 ((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)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/t17-,18-,19-/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	44.5	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))	BDBM50301102 ((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)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/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 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))	BDBM50301102 ((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)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/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 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))	BDBM50301102 ((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)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/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 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