BDBM50444602 CHEMBL3099874

SMILES: COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1

InChI Key: InChIKey=TZZLZNRHOVAVGN-LCYFTJDESA-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 = 50444602   

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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	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	7.20E+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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	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	1.64E+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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	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	9.00E+4	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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+4	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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+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))	BDBM50444602 (CHEMBL3099874) Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1 Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-	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	1.20E+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