BDBM50444604 CHEMBL3099870

SMILES: COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O

InChI Key: InChIKey=QFMIGYKAOSBQJF-WQLSENKSSA-N

Data: 3 KI  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 7 hits for monomerid = 50444604   

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
Kallikrein 7 (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50444604 (CHEMBL3099870) Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair