BDBM50523959 CHEMBL4584968

SMILES: ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1

InChI Key: InChIKey=LXWCLFCLBYYKME-GMAHTHKFSA-N

Data: 4 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 4 hits for monomerid = 50523959   

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))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056
					More data for this Ligand-Target Pair