BDBM50285559 (R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pentan-2-ylamino)-1-oxobutan-2-ylamino)propanoic acid::(R)-2-[(S)-3-(4-Isobutyl-phenyl)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-propylamino]-propionic acid::CHEMBL81270

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

InChI Key: InChIKey=XZCOTKRLQZVHTR-NYMACZPPSA-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 = 50285559   

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))	BDBM50285559 ((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/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	11	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))	BDBM50285559 ((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50285559 ((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	43	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50285559 ((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	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