BDBM50309153 (2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide::CHEMBL591774

SMILES: O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1

InChI Key: InChIKey=LRRAUDSVXJEODP-VTVVEXCCSA-N

Data: 8 KI

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 8 hits for monomerid = 50309153   

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-14 (MMP14) (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	734	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50309153 ((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1 |r| Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair