BDBM50288672 CHEMBL113362::[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-[(S)-4-(3-methoxy-phenyl)-2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-butyl]-phosphinic acid

SMILES: COc1cccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1

InChI Key: InChIKey=DVZGEDWEZGPRNW-ZUKKLESISA-N

Data: 2 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 2 hits for monomerid = 50288672   

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))	BDBM50288672 (CHEMBL113362 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) Show SMILES COc1cccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C36H44N3O7P/c1-25(2)22-32(34(41)37-28-13-5-4-6-14-28)38-33(40)27(19-18-26-12-11-15-29(23-26)46-3)24-47(44,45)21-10-9-20-39-35(42)30-16-7-8-17-31(30)36(39)43/h4-8,11-17,23,25,27,32H,9-10,18-22,24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of gelatinase-A (MMP-2).				Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50288672 (CHEMBL113362 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) Show SMILES COc1cccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C36H44N3O7P/c1-25(2)22-32(34(41)37-28-13-5-4-6-14-28)38-33(40)27(19-18-26-12-11-15-29(23-26)46-3)24-47(44,45)21-10-9-20-39-35(42)30-16-7-8-17-31(30)36(39)43/h4-8,11-17,23,25,27,32H,9-10,18-22,24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of stromelysin-1 (MMP-3).				Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M
					More data for this Ligand-Target Pair