BDBM50158152 CHEMBL3780269

SMILES: NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O

InChI Key: InChIKey=JHARRMAYSVPENO-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 = 50158152   

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
Hepsin (Homo sapiens (Human))	BDBM50158152 (CHEMBL3780269) Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	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
Trypsin (Homo sapiens (Human))	BDBM50158152 (CHEMBL3780269) Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	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 (Homo sapiens (Human))	BDBM50158152 (CHEMBL3780269) Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.08E+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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50158152 (CHEMBL3780269) Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.51E+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 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
Coagulation factor X (Homo sapiens (Human))	BDBM50158152 (CHEMBL3780269) Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.55E+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 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
Prothrombin (Homo sapiens (Human))	BDBM50158152 (CHEMBL3780269) Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	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