BDBM50523956 CHEMBL4536692

SMILES: ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=RLDMWDXYWMJUAA-XPWALMASSA-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 = 50523956   

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))	BDBM50523956 (CHEMBL4536692) Show SMILES ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O6/c29-21-16-28(22(23(21)30)24(31)26-33)25(32)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-27-11-13-34-14-12-27/h3-10,21-23,29-30,33H,11-16H2,(H,26,31)/t21-,22+,23-/m1/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	32	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))	BDBM50523956 (CHEMBL4536692) Show SMILES ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O6/c29-21-16-28(22(23(21)30)24(31)26-33)25(32)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-27-11-13-34-14-12-27/h3-10,21-23,29-30,33H,11-16H2,(H,26,31)/t21-,22+,23-/m1/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	39	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))	BDBM50523956 (CHEMBL4536692) Show SMILES ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O6/c29-21-16-28(22(23(21)30)24(31)26-33)25(32)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-27-11-13-34-14-12-27/h3-10,21-23,29-30,33H,11-16H2,(H,26,31)/t21-,22+,23-/m1/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	1.80E+3	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))	BDBM50523956 (CHEMBL4536692) Show SMILES ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O6/c29-21-16-28(22(23(21)30)24(31)26-33)25(32)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-27-11-13-34-14-12-27/h3-10,21-23,29-30,33H,11-16H2,(H,26,31)/t21-,22+,23-/m1/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	172	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