Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.4 BDBM50405267

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50405267 (CHEMBL5267954) Show SMILES C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C17H22N2O4/c1-12(16(21)19-11-5-8-14(19)17(22)23)18-15(20)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,20)(H,22,23)/t12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50405267 (CHEMBL5267954) Show SMILES C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C17H22N2O4/c1-12(16(21)19-11-5-8-14(19)17(22)23)18-15(20)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,20)(H,22,23)/t12-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from rat				Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50405267 (CHEMBL5267954) Show SMILES C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C17H22N2O4/c1-12(16(21)19-11-5-8-14(19)17(22)23)18-15(20)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,20)(H,22,23)/t12-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50405267 (CHEMBL5267954) Show SMILES C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C17H22N2O4/c1-12(16(21)19-11-5-8-14(19)17(22)23)18-15(20)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,20)(H,22,23)/t12-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from rat				Citation and Details
					More data for this Ligand-Target Pair