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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'coleman' and Initial = 'mp'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168026
PNG
(CHEMBL3800338)
Show SMILES CCCCc1ccc(NC(=O)C2CC2c2cccnc2)cc1
Show InChI InChI=1S/C19H22N2O/c1-2-3-5-14-7-9-16(10-8-14)21-19(22)18-12-17(18)15-6-4-11-20-13-15/h4,6-11,13,17-18H,2-3,5,12H2,1H3,(H,21,22)
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n/an/a 42n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168036
PNG
(CHEMBL3799472)
Show SMILES FC(F)(F)CNC(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C17H14F3N3O2/c18-17(19,20)11-22-16(25)13-4-6-14(7-5-13)23-15(24)8-3-12-2-1-9-21-10-12/h1-10H,11H2,(H,22,25)(H,23,24)/b8-3+
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n/an/a 220n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168025
PNG
(CHEMBL3798025)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc([nH]n1)-c1cccnc1
Show InChI InChI=1S/C26H25N5O/c32-26(24-18-23(28-29-24)22-12-7-13-27-19-22)31-16-14-30(15-17-31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2,(H,28,29)
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n/an/a 243n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168035
PNG
(CHEMBL3799859)
Show SMILES Clc1ccc(CN2CCn3nc(cc3C2=O)C(=O)NCc2cccnc2)cc1Cl
Show InChI InChI=1S/C20H17Cl2N5O2/c21-15-4-3-13(8-16(15)22)12-26-6-7-27-18(20(26)29)9-17(25-27)19(28)24-11-14-2-1-5-23-10-14/h1-5,8-10H,6-7,11-12H2,(H,24,28)
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n/an/a 320n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168034
PNG
(CHEMBL3797738)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2CCCCCn12)\C=C\c1cccnc1
Show InChI InChI=1S/C21H21N5O/c27-20(12-7-16-5-4-13-22-15-16)23-18-10-8-17(9-11-18)21-25-24-19-6-2-1-3-14-26(19)21/h4-5,7-13,15H,1-3,6,14H2,(H,23,27)/b12-7+
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n/an/a 670n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168033
PNG
(CHEMBL3799230)
Show SMILES FC(F)(F)Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)28-18-6-3-17(4-7-18)15-25-10-12-26(13-11-25)19(27)8-5-16-2-1-9-24-14-16/h1-9,14H,10-13,15H2/b8-5+
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n/an/a 780n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168032
PNG
(CHEMBL3799528)
Show SMILES CC1(C)Cc2cccc(OCCNC(=O)\C=C\c3cccnc3)c2O1
Show InChI InChI=1S/C20H22N2O3/c1-20(2)13-16-6-3-7-17(19(16)25-20)24-12-11-22-18(23)9-8-15-5-4-10-21-14-15/h3-10,14H,11-13H2,1-2H3,(H,22,23)/b9-8+
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n/an/a 940n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168031
PNG
(CHEMBL3798976)
Show SMILES Clc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1
Show InChI InChI=1S/C20H18ClN3O4S/c21-16-3-5-17(6-4-16)24-29(26,27)19-9-7-18(8-10-19)28-14-20(25)23-13-15-2-1-11-22-12-15/h1-12,24H,13-14H2,(H,23,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168030
PNG
(CHEMBL3798859)
Show SMILES Fc1ccc(cc1)-c1nc(CN2CCN(CC2)C(=O)\C=C\c2cccnc2)cs1
Show InChI InChI=1S/C22H21FN4OS/c23-19-6-4-18(5-7-19)22-25-20(16-29-22)15-26-10-12-27(13-11-26)21(28)8-3-17-2-1-9-24-14-17/h1-9,14,16H,10-13,15H2/b8-3+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168029
PNG
(CHEMBL3799664)
Show SMILES O=C(N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H20N6O2/c29-21(19-12-15-4-1-2-6-17(15)24-19)27-8-10-28(11-9-27)22(30)20-13-18(25-26-20)16-5-3-7-23-14-16/h1-7,12-14,24H,8-11H2,(H,25,26)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50168028
PNG
(CHEMBL3799760)
Show SMILES O=C(NCCOc1ccc2ccccc2c1)NCc1cccnc1
Show InChI InChI=1S/C19H19N3O2/c23-19(22-14-15-4-3-9-20-13-15)21-10-11-24-18-8-7-16-5-1-2-6-17(16)12-18/h1-9,12-13H,10-11,14H2,(H2,21,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Charles River Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 m...


Bioorg Med Chem Lett 26: 2920-2926 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.039
BindingDB Entry DOI: 10.7270/Q2RR215F
More data for this
Ligand-Target Pair