BDBM50361634 CHEMBL1939877::US8785489, (4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}phenyl)acetic acid

SMILES: CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(CC(O)=O)cc1

InChI Key: InChIKey=UHHFYGOUQISNPH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50361634   

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
Collagenase 3 (Mus musculus (Mouse))	BDBM50361634 (CHEMBL1939877 | US8785489, (4-{[({5-[2-(ethoxycarb...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C25H24N4O5/c1-3-34-25(33)21-12-18-11-17(8-9-19(18)27-21)22-13-20(28-29(22)2)24(32)26-14-16-6-4-15(5-7-16)10-23(30)31/h4-9,11-13,27H,3,10,14H2,1-2H3,(H,26,32)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...				US Patent US8785489 (2014) BindingDB Entry DOI: 10.7270/Q24B300F
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361634 (CHEMBL1939877 | US8785489, (4-{[({5-[2-(ethoxycarb...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C25H24N4O5/c1-3-34-25(33)21-12-18-11-17(8-9-19(18)27-21)22-13-20(28-29(22)2)24(32)26-14-16-6-4-15(5-7-16)10-23(30)31/h4-9,11-13,27H,3,10,14H2,1-2H3,(H,26,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361634 (CHEMBL1939877 | US8785489, (4-{[({5-[2-(ethoxycarb...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C25H24N4O5/c1-3-34-25(33)21-12-18-11-17(8-9-19(18)27-21)22-13-20(28-29(22)2)24(32)26-14-16-6-4-15(5-7-16)10-23(30)31/h4-9,11-13,27H,3,10,14H2,1-2H3,(H,26,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of MMP13 after 30 mins by fluorimetry in the presence of 1.25% human serum albumin				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50361634 (CHEMBL1939877 | US8785489, (4-{[({5-[2-(ethoxycarb...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C25H24N4O5/c1-3-34-25(33)21-12-18-11-17(8-9-19(18)27-21)22-13-20(28-29(22)2)24(32)26-14-16-6-4-15(5-7-16)10-23(30)31/h4-9,11-13,27H,3,10,14H2,1-2H3,(H,26,32)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 after 30 mins by fluorimetry				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50361634 (CHEMBL1939877 | US8785489, (4-{[({5-[2-(ethoxycarb...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C25H24N4O5/c1-3-34-25(33)21-12-18-11-17(8-9-19(18)27-21)22-13-20(28-29(22)2)24(32)26-14-16-6-4-15(5-7-16)10-23(30)31/h4-9,11-13,27H,3,10,14H2,1-2H3,(H,26,32)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorimetry				J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C
					More data for this Ligand-Target Pair