BDBM50444599 CHEMBL3099875

SMILES: CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1

InChI Key: InChIKey=YXHYQZHYZKZKRS-DHDCSXOGSA-N

Data: 2 KI  3 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 = 50444599   

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))	BDBM50444599 (CHEMBL3099875) Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1 Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-	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	9.50E+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 7 (Homo sapiens (Human))	BDBM50444599 (CHEMBL3099875) Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1 Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-	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	1.40E+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))	BDBM50444599 (CHEMBL3099875) Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1 Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-	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	1.13E+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))	BDBM50444599 (CHEMBL3099875) Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1 Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+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
Matriptase (Homo sapiens (Human))	BDBM50444599 (CHEMBL3099875) Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1 Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-	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	7.50E+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 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