BDBM50107573 (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide::(R)-2-(4-Benzo[1,3]dioxol-5-yl-benzyl)-N*4*-hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-yl)-succinamide::CHEMBL8432

SMILES: ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=MJTVUROZTDIMFT-MZEQIWSPSA-N

Data: 3 KI

PDB links: 2 PDB IDs match this monomer.

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 3 hits for monomerid = 50107573   

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))	BDBM50107573 ((2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydro...) Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharma Company Curated by ChEMBL					Assay Description Binding affinity for human gelatinase A (MMP-2)				Bioorg Med Chem Lett 12: 101-4 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q1C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50107573 ((2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydro...) Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharma Company Curated by ChEMBL					Assay Description Binding affinity for human gelatinase B (MMP-9)				Bioorg Med Chem Lett 12: 101-4 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q1C
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50107573 ((2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydro...) Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharma Company Curated by ChEMBL					Assay Description Binding affinity for neutrophil collagenase (MMP-1)				Bioorg Med Chem Lett 12: 101-4 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q1C
					More data for this Ligand-Target Pair