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

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 213227   

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
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human))	BDBM213227 (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	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair
C-terminal binding protein (CtBP1 A52D) (Homo sapiens (Human))	BDBM213227 (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	PDB GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair
C-terminal binding protein (CtBP1 V66R) (Homo sapiens (Human))	BDBM213227 (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	PDB GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair
C-terminal binding protein (CtBP1 W318F) (Homo sapiens (Human))	BDBM213227 (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	PDB GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair
C-terminal binding protein (CtBP1 E295A) (Homo sapiens (Human))	BDBM213227 (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	PDB GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair
C-terminal binding protein (CtBP1 H315A) (Homo sapiens (Human))	BDBM213227 (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	PDB GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair
C-terminal binding protein (CtBP1 R266Q) (Homo sapiens (Human))	BDBM213227 (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	PDB GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University					Assay 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%...				J Biol Chem 288: 27836-48 (2013) Article DOI: 10.1074/jbc.M113.493569 BindingDB Entry DOI: 10.7270/Q2V40T2K
					More data for this Ligand-Target Pair