BDBM50289123 (R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-(4-propyl-phenyl)-propylamino]-6-(1-oxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid::CHEMBL267536

SMILES: CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=MFDDFJXXVOMZLW-XFQWPLCWSA-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 = 50289123   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50289123 ((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...) Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3(MMP-3).				Bioorg Med Chem Lett 6: 803-806 (1996) Article DOI: 10.1016/0960-894X(96)00109-6 BindingDB Entry DOI: 10.7270/Q2HM58FH
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50289123 ((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...) Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/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	110	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-2(MMP-2)				Bioorg Med Chem Lett 6: 803-806 (1996) Article DOI: 10.1016/0960-894X(96)00109-6 BindingDB Entry DOI: 10.7270/Q2HM58FH
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50289123 ((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...) Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60E+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(MMP-1)				Bioorg Med Chem Lett 6: 803-806 (1996) Article DOI: 10.1016/0960-894X(96)00109-6 BindingDB Entry DOI: 10.7270/Q2HM58FH
					More data for this Ligand-Target Pair