BDBM50523962 CHEMBL4527411

SMILES: CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO

InChI Key: InChIKey=HMXFQXRHTFBPFX-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 = 50523962   

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-9 (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/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	120	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/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	3	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/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	15	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
Collagenase 3 (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/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	0.700	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