null

SMILES: CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1

InChI Key: InChIKey=PLDVVTCRXXIJNN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 480981   

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))	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells at 10 uM by 1H NMR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Biotinidase (Homo sapiens)	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate prei...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells assessed as dissociation constant by surface plasmon...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480981 (US10906888, Example 198 | US10906888, Example 199 ...) Show SMILES CS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)15-3-2-6-24(11-15)16(25)13-7-21-17(22-8-13)23-18(4-5-18)14-9-19-12-20-10-14/h7-10,12,15H,2-6,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair