BDBM50444597 CHEMBL3099882

SMILES: COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC

InChI Key: InChIKey=XOVSKZMGQOOLCH-GIJQJNRQSA-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 = 50444597   

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))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	8.30E+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))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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 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))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.66E+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
Matriptase (Homo sapiens (Human))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+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
Kallikrein 5 (Homo sapiens (Human))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+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
Kallikrein 14 (Homo sapiens (Human))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+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 7 (Homo sapiens (Human))	BDBM50444597 (CHEMBL3099882) Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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 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