Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.6 BDBM50093312

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50093312 (3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...) Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50093312 (3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...) Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50093312 (3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...) Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093312 (3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...) Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against plasmin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair