BDBM50035472 CHEMBL3355724

SMILES: CC(C)C[C@H](CC(=O)NOC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O

InChI Key: InChIKey=KFGQNXFUJFZCKJ-RDAHNBDFSA-N

Data: 3 IC50

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 = 50035472   

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
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50035472 (CHEMBL3355724) Show SMILES CC(C)C[C@H](CC(=O)NOC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C37H43F2N5O7/c1-23(2)20-27(22-32(45)44-51-37(50)26-13-17-29(39)18-14-26)35(48)43-31(21-24-8-4-3-5-9-24)36(49)42-30(33(40)46)10-6-7-19-41-34(47)25-11-15-28(38)16-12-25/h3-5,8-9,11-18,23,27,30-31H,6-7,10,19-22H2,1-2H3,(H2,40,46)(H,41,47)(H,42,49)(H,43,48)(H,44,45)/t27-,30+,31+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAM17 using Mca-PLAQAV-Dpa-RSSSR-NH2				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50035472 (CHEMBL3355724) Show SMILES CC(C)C[C@H](CC(=O)NOC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C37H43F2N5O7/c1-23(2)20-27(22-32(45)44-51-37(50)26-13-17-29(39)18-14-26)35(48)43-31(21-24-8-4-3-5-9-24)36(49)42-30(33(40)46)10-6-7-19-41-34(47)25-11-15-28(38)16-12-25/h3-5,8-9,11-18,23,27,30-31H,6-7,10,19-22H2,1-2H3,(H2,40,46)(H,41,47)(H,42,49)(H,43,48)(H,44,45)/t27-,30+,31+/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 PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50035472 (CHEMBL3355724) Show SMILES CC(C)C[C@H](CC(=O)NOC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C37H43F2N5O7/c1-23(2)20-27(22-32(45)44-51-37(50)26-13-17-29(39)18-14-26)35(48)43-31(21-24-8-4-3-5-9-24)36(49)42-30(33(40)46)10-6-7-19-41-34(47)25-11-15-28(38)16-12-25/h3-5,8-9,11-18,23,27,30-31H,6-7,10,19-22H2,1-2H3,(H2,40,46)(H,41,47)(H,42,49)(H,43,48)(H,44,45)/t27-,30+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair