BDBM50189307 CHEMBL3594082

SMILES: NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=CPBAVONBUJGRKD-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 5 hits for monomerid = 50189307   

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
Trypsin (Homo sapiens (Human))	BDBM50189307 (CHEMBL3594082) Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis				Bioorg Med Chem Lett 26: 3741-5 (2016) BindingDB Entry DOI: 10.7270/Q29025QN
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50189307 (CHEMBL3594082) Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(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	PubMed	391	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis				Bioorg Med Chem Lett 26: 3741-5 (2016) BindingDB Entry DOI: 10.7270/Q29025QN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50189307 (CHEMBL3594082) Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis				Bioorg Med Chem Lett 26: 3741-5 (2016) BindingDB Entry DOI: 10.7270/Q29025QN
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50189307 (CHEMBL3594082) Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	558	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis				Bioorg Med Chem Lett 26: 3741-5 (2016) BindingDB Entry DOI: 10.7270/Q29025QN
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50189307 (CHEMBL3594082) Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis				Bioorg Med Chem Lett 26: 3741-5 (2016) BindingDB Entry DOI: 10.7270/Q29025QN
					More data for this Ligand-Target Pair