BDBM113069 US9695194, 5

SMILES: CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC

InChI Key: InChIKey=MICLUGCMNGFNIQ-UHFFFAOYSA-N

Data: 7 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 10 hits for monomerid = 113069   

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))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	85	-10.0	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	300	-9.25	n/a	n/a	n/a	n/a	n/a	8.0	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	500	-8.94	n/a	n/a	n/a	n/a	n/a	8.0	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1.20E+3	-8.40	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-7.09	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-7.09	n/a	n/a	n/a	n/a	n/a	8.3	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-7.09	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK5 using S-2288 substrate				Bioorg Med Chem Lett 29: 821-825 (2019) Article DOI: 10.1016/j.bmcl.2019.01.020
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 using S-2586 substrate				Bioorg Med Chem Lett 29: 821-825 (2019) Article DOI: 10.1016/j.bmcl.2019.01.020
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK14 using S-2302 substrate				Bioorg Med Chem Lett 29: 821-825 (2019) Article DOI: 10.1016/j.bmcl.2019.01.020
					More data for this Ligand-Target Pair