BDBM50268904 CHEMBL445717::benzyl 5-(2-((3RS,5S,6S)-5-(hydroxycarbamoyl)-6-(3-phenylpyrrolidine-1-carbonyl)piperidin-3-yl)acetamido)pentylcarbamate

SMILES: ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1

InChI Key: InChIKey=KMMSPMPORWBMTE-QBDLAISOSA-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 = 50268904   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/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	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of human MMP9				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/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 human MMP3				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/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	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of human MMP2				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAM10				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/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 human MMP1				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/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	137	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER2 extracellular domain sheddase activity in human BT474 cells after 72 hrs by ELISA				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
					More data for this Ligand-Target Pair