BDBM50285563 (R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pentan-2-ylamino)-1-oxo-4-(4-(trifluoromethyl)phenyl)butan-2-ylamino)propanoic acid::(R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-(4-trifluoromethyl-phenyl)-propylamino]-propionic acid::CHEMBL310587

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(F)(F)F)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=CAZNRDJXNQISBA-WTNAPCKOSA-N

Data: 4 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 4 hits for monomerid = 50285563   

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))	BDBM50285563 ((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(F)(F)F)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H32F3N3O4/c1-16(2)15-22(24(34)31-20-7-5-4-6-8-20)32-23(33)21(30-17(3)25(35)36)14-11-18-9-12-19(13-10-18)26(27,28)29/h4-10,12-13,16-17,21-22,30H,11,14-15H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)/t17-,21+,22+/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	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human gelatinase-A (MMP-2)				Bioorg Med Chem Lett 5: 2441-2446 (1995) Article DOI: 10.1016/0960-894X(95)00425-S BindingDB Entry DOI: 10.7270/Q2D21XK6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50285563 ((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(F)(F)F)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H32F3N3O4/c1-16(2)15-22(24(34)31-20-7-5-4-6-8-20)32-23(33)21(30-17(3)25(35)36)14-11-18-9-12-19(13-10-18)26(27,28)29/h4-10,12-13,16-17,21-22,30H,11,14-15H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)/t17-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 5: 2441-2446 (1995) Article DOI: 10.1016/0960-894X(95)00425-S BindingDB Entry DOI: 10.7270/Q2D21XK6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50285563 ((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(F)(F)F)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H32F3N3O4/c1-16(2)15-22(24(34)31-20-7-5-4-6-8-20)32-23(33)21(30-17(3)25(35)36)14-11-18-9-12-19(13-10-18)26(27,28)29/h4-10,12-13,16-17,21-22,30H,11,14-15H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)/t17-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50285563 ((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(F)(F)F)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H32F3N3O4/c1-16(2)15-22(24(34)31-20-7-5-4-6-8-20)32-23(33)21(30-17(3)25(35)36)14-11-18-9-12-19(13-10-18)26(27,28)29/h4-10,12-13,16-17,21-22,30H,11,14-15H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)/t17-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human collagenase (MMP-1)				Bioorg Med Chem Lett 5: 2441-2446 (1995) Article DOI: 10.1016/0960-894X(95)00425-S BindingDB Entry DOI: 10.7270/Q2D21XK6
					More data for this Ligand-Target Pair