BDBM213227 Nicotinamide adenine dinucleotide (NAD)

SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O

InChI Key InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-N

Data  7 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 213227   

TargetC-terminal-binding protein 1(Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  390nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair
TargetC-terminal-binding protein 1 [A52D](Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  500nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair
TargetC-terminal-binding protein 1 [V66R](Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  500nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair
TargetC-terminal-binding protein 1 [W318F](Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  2.20E+3nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair
TargetC-terminal-binding protein 1 [E295A](Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  2.40E+3nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair
TargetC-terminal-binding protein 1 [H315A](Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  7.90E+3nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair
TargetC-terminal-binding protein 1 [R266Q](Homo sapiens (Human))
Oregon Health and Science University

LigandPNGBDBM213227(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Affinity DataKd:  1.60E+3nMAssay Description:Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...More data for this Ligand-Target Pair