BDBM50288716 (R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-phenyl-propylamino]-butyric acid::CHEMBL111017

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=CVNQIEKSHLAVBX-NHKHRBQYSA-N

Data: 3 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 3 hits for monomerid = 50288716   

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))	BDBM50288716 ((R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H38N4O6/c1-22(2)21-29(31(40)35-24-13-7-4-8-14-24)37-30(39)27(18-17-23-11-5-3-6-12-23)36-28(34(43)44)19-20-38-32(41)25-15-9-10-16-26(25)33(38)42/h3-16,22,27-29,36H,17-21H2,1-2H3,(H,35,40)(H,37,39)(H,43,44)/t27-,28+,29-/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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MMP-2.				Bioorg Med Chem Lett 6: 329-332 (1996) Article DOI: 10.1016/0960-894X(96)00024-8 BindingDB Entry DOI: 10.7270/Q2S75GBB
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50288716 ((R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H38N4O6/c1-22(2)21-29(31(40)35-24-13-7-4-8-14-24)37-30(39)27(18-17-23-11-5-3-6-12-23)36-28(34(43)44)19-20-38-32(41)25-15-9-10-16-26(25)33(38)42/h3-16,22,27-29,36H,17-21H2,1-2H3,(H,35,40)(H,37,39)(H,43,44)/t27-,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MMP-3.				Bioorg Med Chem Lett 6: 329-332 (1996) Article DOI: 10.1016/0960-894X(96)00024-8 BindingDB Entry DOI: 10.7270/Q2S75GBB
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50288716 ((R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H38N4O6/c1-22(2)21-29(31(40)35-24-13-7-4-8-14-24)37-30(39)27(18-17-23-11-5-3-6-12-23)36-28(34(43)44)19-20-38-32(41)25-15-9-10-16-26(25)33(38)42/h3-16,22,27-29,36H,17-21H2,1-2H3,(H,35,40)(H,37,39)(H,43,44)/t27-,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase -1.				Bioorg Med Chem Lett 6: 329-332 (1996) Article DOI: 10.1016/0960-894X(96)00024-8 BindingDB Entry DOI: 10.7270/Q2S75GBB
					More data for this Ligand-Target Pair