BDBM50017904 CHEMBL3289031

SMILES: CC1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1

InChI Key: InChIKey=CPCSCETZMKEBGH-UHFFFAOYSA-N

Data: 5 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 3 hits for monomerid = 50017904   

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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50017904 (CHEMBL3289031) Show SMILES CC1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(17.03,-2.01,;17.03,-3.55,;15.69,-4.32,;15.69,-5.86,;17.03,-6.63,;18.36,-5.86,;18.36,-4.32,;17.03,-8.17,;18.36,-8.94,;15.69,-8.94,;14.36,-8.17,;14.36,-6.63,;13.03,-5.86,;13.03,-4.32,;11.69,-3.55,;11.69,-2.01,;10.36,-1.24,;9.03,-2.01,;9.03,-3.55,;10.36,-4.32,;7.69,-1.24,;6.36,-2.01,;7.69,.3,;11.69,-6.63,;11.69,-8.17,;10.36,-8.94,;9.03,-8.17,;7.69,-8.94,;6.36,-8.17,;6.36,-6.63,;7.69,-5.86,;9.03,-6.63,;5.02,-5.86,;3.69,-6.63,;5.02,-4.32,;13.03,-8.94,)| Show InChI InChI=1S/C28H31N5O3/c1-17-2-4-20(5-3-17)28(34)33-21-14-24(35-22-10-6-18(7-11-22)26(29)30)16-25(15-21)36-23-12-8-19(9-13-23)27(31)32/h6-17,20H,2-5H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50017904 (CHEMBL3289031) Show SMILES CC1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(17.03,-2.01,;17.03,-3.55,;15.69,-4.32,;15.69,-5.86,;17.03,-6.63,;18.36,-5.86,;18.36,-4.32,;17.03,-8.17,;18.36,-8.94,;15.69,-8.94,;14.36,-8.17,;14.36,-6.63,;13.03,-5.86,;13.03,-4.32,;11.69,-3.55,;11.69,-2.01,;10.36,-1.24,;9.03,-2.01,;9.03,-3.55,;10.36,-4.32,;7.69,-1.24,;6.36,-2.01,;7.69,.3,;11.69,-6.63,;11.69,-8.17,;10.36,-8.94,;9.03,-8.17,;7.69,-8.94,;6.36,-8.17,;6.36,-6.63,;7.69,-5.86,;9.03,-6.63,;5.02,-5.86,;3.69,-6.63,;5.02,-4.32,;13.03,-8.94,)| Show InChI InChI=1S/C28H31N5O3/c1-17-2-4-20(5-3-17)28(34)33-21-14-24(35-22-10-6-18(7-11-22)26(29)30)16-25(15-21)36-23-12-8-19(9-13-23)27(31)32/h6-17,20H,2-5H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	743	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50017904 (CHEMBL3289031) Show SMILES CC1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(17.03,-2.01,;17.03,-3.55,;15.69,-4.32,;15.69,-5.86,;17.03,-6.63,;18.36,-5.86,;18.36,-4.32,;17.03,-8.17,;18.36,-8.94,;15.69,-8.94,;14.36,-8.17,;14.36,-6.63,;13.03,-5.86,;13.03,-4.32,;11.69,-3.55,;11.69,-2.01,;10.36,-1.24,;9.03,-2.01,;9.03,-3.55,;10.36,-4.32,;7.69,-1.24,;6.36,-2.01,;7.69,.3,;11.69,-6.63,;11.69,-8.17,;10.36,-8.94,;9.03,-8.17,;7.69,-8.94,;6.36,-8.17,;6.36,-6.63,;7.69,-5.86,;9.03,-6.63,;5.02,-5.86,;3.69,-6.63,;5.02,-4.32,;13.03,-8.94,)| Show InChI InChI=1S/C28H31N5O3/c1-17-2-4-20(5-3-17)28(34)33-21-14-24(35-22-10-6-18(7-11-22)26(29)30)16-25(15-21)36-23-12-8-19(9-13-23)27(31)32/h6-17,20H,2-5H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
					More data for this Ligand-Target Pair