BDBM50289125 CHEMBL167705::[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-phenyl-propylamino]-acetic acid

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=IEJUQNIPUKZOAL-SFTDATJTSA-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 = 50289125   

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))	BDBM50289125 (CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/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	470	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50289125 (CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.60E+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-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
Interstitial collagenase (Homo sapiens (Human))	BDBM50289125 (CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.62E+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