BDBM50017923 CHEMBL3289298

SMILES: NCc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1

InChI Key: InChIKey=WCWLNMZXDGBSSK-MEMLXQNLSA-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 = 50017923   

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))	BDBM50017923 (CHEMBL3289298) Show SMILES NCc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1 |r,wU:26.27,wD:29.31,(-.67,-7.68,;.66,-6.91,;1.99,-7.68,;1.99,-9.22,;3.33,-9.99,;4.66,-9.22,;6,-9.99,;7.33,-9.22,;7.33,-7.68,;8.66,-6.91,;8.66,-5.37,;10,-4.6,;10,-3.06,;11.33,-2.29,;12.66,-3.06,;12.66,-4.6,;11.33,-5.37,;14,-2.29,;15.33,-3.06,;14,-.75,;10,-7.68,;10,-9.22,;8.66,-9.99,;11.33,-9.99,;11.33,-11.53,;12.66,-9.22,;14,-9.99,;15.33,-9.22,;16.66,-9.99,;16.66,-11.53,;18,-12.3,;15.33,-12.3,;14,-11.53,;4.66,-7.68,;3.33,-6.91,)| Show InChI InChI=1S/C27H31N5O3/c28-16-17-1-9-22(10-2-17)34-24-13-19(27(33)32-21-7-5-20(29)6-8-21)14-25(15-24)35-23-11-3-18(4-12-23)26(30)31/h1-4,9-15,20-21H,5-8,16,28-29H2,(H3,30,31)(H,32,33)/t20-,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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))	BDBM50017923 (CHEMBL3289298) Show SMILES NCc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1 |r,wU:26.27,wD:29.31,(-.67,-7.68,;.66,-6.91,;1.99,-7.68,;1.99,-9.22,;3.33,-9.99,;4.66,-9.22,;6,-9.99,;7.33,-9.22,;7.33,-7.68,;8.66,-6.91,;8.66,-5.37,;10,-4.6,;10,-3.06,;11.33,-2.29,;12.66,-3.06,;12.66,-4.6,;11.33,-5.37,;14,-2.29,;15.33,-3.06,;14,-.75,;10,-7.68,;10,-9.22,;8.66,-9.99,;11.33,-9.99,;11.33,-11.53,;12.66,-9.22,;14,-9.99,;15.33,-9.22,;16.66,-9.99,;16.66,-11.53,;18,-12.3,;15.33,-12.3,;14,-11.53,;4.66,-7.68,;3.33,-6.91,)| Show InChI InChI=1S/C27H31N5O3/c28-16-17-1-9-22(10-2-17)34-24-13-19(27(33)32-21-7-5-20(29)6-8-21)14-25(15-24)35-23-11-3-18(4-12-23)26(30)31/h1-4,9-15,20-21H,5-8,16,28-29H2,(H3,30,31)(H,32,33)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.13E+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