BDBM113299 US9695194, 15

SMILES: COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1

InChI Key: InChIKey=KTPYVEWDDQSBAX-UHFFFAOYSA-N

Data: 7 KI

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 = 113299   

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
Chymotrypsin (Homo sapiens (Human))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	<-9.93	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
Kallikrein 7 (Homo sapiens (Human))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	105	-9.90	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))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	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 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))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	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))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	-8.94	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
Prothrombin (Homo sapiens (Human))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	-8.82	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))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70E+3	-7.70	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