BDBM50017920 CHEMBL3289042

SMILES: N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1

InChI Key: InChIKey=XXFJGPHUDFZEFI-HZCBDIJESA-N

Data: 4 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 2 hits for monomerid = 50017920   

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))	BDBM50017920 (CHEMBL3289042) Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(3.93,1.19,;4.7,-.15,;3.93,-1.48,;4.7,-2.81,;6.24,-2.81,;7.01,-1.48,;6.24,-.15,;7.01,-4.15,;8.55,-4.15,;9.32,-2.81,;9.32,-5.48,;10.86,-5.48,;11.63,-6.81,;13.17,-6.81,;13.94,-5.48,;15.48,-5.48,;16.25,-4.15,;17.79,-4.15,;18.56,-5.48,;17.79,-6.81,;16.25,-6.81,;20.1,-5.48,;20.87,-6.81,;20.87,-4.15,;10.86,-8.15,;9.32,-8.15,;8.55,-9.48,;7.01,-9.48,;6.24,-10.82,;4.7,-10.82,;3.93,-9.48,;4.7,-8.15,;6.24,-8.15,;2.39,-9.48,;1.62,-8.15,;1.62,-10.82,;8.55,-6.81,)| Show InChI InChI=1S/C28H32N6O3/c29-21-7-9-22(10-8-21)34-28(35)20-13-24(36-16-17-1-3-18(4-2-17)26(30)31)15-25(14-20)37-23-11-5-19(6-12-23)27(32)33/h1-6,11-15,21-22H,7-10,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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
Prothrombin (Homo sapiens (Human))	BDBM50017920 (CHEMBL3289042) Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(3.93,1.19,;4.7,-.15,;3.93,-1.48,;4.7,-2.81,;6.24,-2.81,;7.01,-1.48,;6.24,-.15,;7.01,-4.15,;8.55,-4.15,;9.32,-2.81,;9.32,-5.48,;10.86,-5.48,;11.63,-6.81,;13.17,-6.81,;13.94,-5.48,;15.48,-5.48,;16.25,-4.15,;17.79,-4.15,;18.56,-5.48,;17.79,-6.81,;16.25,-6.81,;20.1,-5.48,;20.87,-6.81,;20.87,-4.15,;10.86,-8.15,;9.32,-8.15,;8.55,-9.48,;7.01,-9.48,;6.24,-10.82,;4.7,-10.82,;3.93,-9.48,;4.7,-8.15,;6.24,-8.15,;2.39,-9.48,;1.62,-8.15,;1.62,-10.82,;8.55,-6.81,)| Show InChI InChI=1S/C28H32N6O3/c29-21-7-9-22(10-8-21)34-28(35)20-13-24(36-16-17-1-3-18(4-2-17)26(30)31)15-25(14-20)37-23-11-5-19(6-12-23)27(32)33/h1-6,11-15,21-22H,7-10,16,29H2,(H3,30,31)(H3,32,33)(H,34,35)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.81E+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