BDBM50017921 CHEMBL3289016

SMILES: NC(=N)c1ccc(Oc2cc(N)cc(Oc3ccc(cc3)C(N)=N)c2)cc1

InChI Key: InChIKey=BQECTQJDEWVZMP-UHFFFAOYSA-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 3 hits for monomerid = 50017921   

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
Coagulation factor X (Bos taurus)	BDBM50017921 (CHEMBL3289016) Show SMILES NC(=N)c1ccc(Oc2cc(N)cc(Oc3ccc(cc3)C(N)=N)c2)cc1 Show InChI InChI=1S/C20H19N5O2/c21-14-9-17(26-15-5-1-12(2-6-15)19(22)23)11-18(10-14)27-16-7-3-13(4-8-16)20(24)25/h1-11H,21H2,(H3,22,23)(H3,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	851	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
Matriptase (Homo sapiens (Human))	BDBM50017921 (CHEMBL3289016) Show SMILES NC(=N)c1ccc(Oc2cc(N)cc(Oc3ccc(cc3)C(N)=N)c2)cc1 Show InChI InChI=1S/C20H19N5O2/c21-14-9-17(26-15-5-1-12(2-6-15)19(22)23)11-18(10-14)27-16-7-3-13(4-8-16)20(24)25/h1-11H,21H2,(H3,22,23)(H3,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+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 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))	BDBM50017921 (CHEMBL3289016) Show SMILES NC(=N)c1ccc(Oc2cc(N)cc(Oc3ccc(cc3)C(N)=N)c2)cc1 Show InChI InChI=1S/C20H19N5O2/c21-14-9-17(26-15-5-1-12(2-6-15)19(22)23)11-18(10-14)27-16-7-3-13(4-8-16)20(24)25/h1-11H,21H2,(H3,22,23)(H3,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.82E+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