BDBM50523961 CHEMBL4441587

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

InChI Key: InChIKey=HPPQTJSDCSGPAX-GOTSBHOMSA-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 = 50523961   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50523961 (CHEMBL4441587) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O5/c29-22-15-23(24(30)26-32)28(17-22)25(31)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-27-11-13-33-14-12-27/h3-10,22-23,29,32H,11-17H2,(H,26,30)/t22-,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	198	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523961 (CHEMBL4441587) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O5/c29-22-15-23(24(30)26-32)28(17-22)25(31)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-27-11-13-33-14-12-27/h3-10,22-23,29,32H,11-17H2,(H,26,30)/t22-,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	55	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))	BDBM50523961 (CHEMBL4441587) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O5/c29-22-15-23(24(30)26-32)28(17-22)25(31)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-27-11-13-33-14-12-27/h3-10,22-23,29,32H,11-17H2,(H,26,30)/t22-,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	57	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))	BDBM50523961 (CHEMBL4441587) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O5/c29-22-15-23(24(30)26-32)28(17-22)25(31)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-27-11-13-33-14-12-27/h3-10,22-23,29,32H,11-17H2,(H,26,30)/t22-,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	1.00E+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