BDBM50158160 CHEMBL3780584

SMILES: CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N

InChI Key: InChIKey=YRDJOOUTTZXUCV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50158160   

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 (Homo sapiens (Human))	BDBM50158160 (CHEMBL3780584) Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50158160 (CHEMBL3780584) Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50158160 (CHEMBL3780584) Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50158160 (CHEMBL3780584) Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50158160 (CHEMBL3780584) Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50158160 (CHEMBL3780584) Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant thrombin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair