null

SMILES: O=C(N1CCC(C1)c1ccncc1)c1cnc2N[C@H](COc2c1)c1ccccc1

InChI Key: InChIKey=ISCNEHUAWLGHPE-ROPPNANJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 408819   

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
Pantetheinase (Homo sapiens (Human))	BDBM408819 (US10364255, Ex. 11 | US10364255, Ex. 12) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2N[C@H](COc2c1)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O2/c28-23(27-11-8-18(14-27)16-6-9-24-10-7-16)19-12-21-22(25-13-19)26-20(15-29-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,18,20H,8,11,14-15H2,(H,25,26)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408819 (US10364255, Ex. 11 | US10364255, Ex. 12) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2N[C@H](COc2c1)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O2/c28-23(27-11-8-18(14-27)16-6-9-24-10-7-16)19-12-21-22(25-13-19)26-20(15-29-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,18,20H,8,11,14-15H2,(H,25,26)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair