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Compile Data Set for Download or QSAR

Found 789 hits with Last Name = 'lee' and Initial = 'n'   
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
Serine/threonine-protein kinase 17B (STK17B)


(Homo sapiens (Human))
BDBM50166121
PNG
(CHEMBL3797480)
Show SMILES CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-2-3-8-17(26)22-12-9-10-16-14(11-12)18(21(27)24-16)20-19(25-28)13-6-4-5-7-15(13)23-20/h4-7,9-11,23,28H,2-3,8H2,1H3,(H,22,26)(H,24,27)/b20-18-,25-19+
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0.260n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated for 2 hrs by Lineweaver-Burk plot analysis in presence of...


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12|
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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0.810n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011322
PNG
(CHEMBL3260745)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011324
PNG
(CHEMBL3260747)
Show SMILES CCc1nc(ccc1Cn1n2c(nn(CC)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccc(cc2)C#N)c1=O)C(F)(F)F
Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-22-20(11-14-23(35-22)29(31,32)33)16-38-27(40)25(19-7-5-17(15-34)6-8-19)24(18-9-12-21(30)13-10-18)26-36-37(4-2)28(41)39(26)38/h5-14H,3-4,16H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011328
PNG
(CHEMBL3259829)
Show SMILES CCCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-14-37-28(41)39-26(36-37)24(19-8-11-22(30)12-9-19)25(20-6-4-18(15-34)5-7-20)27(40)38(39)16-21-10-13-23(29(31,32)33)35-17(21)2/h4-13H,3,14,16H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011326
PNG
(CHEMBL3260748)
Show SMILES CC(C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-16(2)38-28(41)39-26(36-38)24(19-8-11-22(30)12-9-19)25(20-6-4-18(14-34)5-7-20)27(40)37(39)15-21-10-13-23(29(31,32)33)35-17(21)3/h4-13,16H,15H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12|
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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2.30n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011330
PNG
(CHEMBL3260750)
Show SMILES CCn1nc2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H23F3N6O2/c1-4-36-28(40)38-26(35-36)24(20-9-5-17(2)6-10-20)25(21-11-7-19(15-33)8-12-21)27(39)37(38)16-22-13-14-23(29(30,31)32)34-18(22)3/h5-14H,4,16H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011323
PNG
(CHEMBL3260746)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)c(C)c3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-4-37-28(41)39-26(36-37)24(18-7-10-22(30)11-8-18)25(19-5-6-20(14-34)16(2)13-19)27(40)38(39)15-21-9-12-23(29(31,32)33)35-17(21)3/h5-13H,4,15H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011334
PNG
(CHEMBL3260754)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(14.54,-16.67,;15.31,-15.33,;14.53,-14,;13,-13.84,;12.68,-12.33,;11.35,-11.56,;10.01,-12.34,;10.02,-13.88,;8.68,-14.65,;7.35,-13.89,;6.01,-14.66,;7.35,-12.34,;8.68,-11.57,;11.34,-10.03,;10.01,-9.26,;8.68,-10.03,;7.35,-9.26,;7.34,-7.72,;8.67,-6.95,;10.01,-7.72,;11.34,-6.95,;12.68,-9.26,;12.67,-7.72,;14.01,-10.02,;15.35,-9.25,;15.34,-7.71,;14,-6.95,;13.98,-5.41,;15.32,-4.62,;16.67,-5.39,;16.67,-6.93,;18.01,-7.69,;15.31,-3.08,;16.64,-2.3,;13.97,-2.32,;15.3,-1.53,;14.01,-11.57,;15.16,-12.6,;16.66,-12.27,)|
Show InChI InChI=1S/C26H19ClF4N6O2/c1-3-35-25(39)37-23(34-35)21(15-4-7-17(27)8-5-15)22(18-10-11-32-12-19(18)28)24(38)36(37)13-16-6-9-20(26(29,30)31)33-14(16)2/h4-12H,3,13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011310
PNG
(CHEMBL3260737)
Show SMILES Clc1ccc(cc1)-c1c(-c2ccncc2)c2nn(Cc3ccc(cc3)C#N)c(=O)n2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C32H20ClN7O2/c33-27-11-9-25(10-12-27)29-28(26-13-15-36-16-14-26)30-37-38(19-23-5-1-21(17-34)2-6-23)32(42)40(30)39(31(29)41)20-24-7-3-22(18-35)4-8-24/h1-16H,19-20H2
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4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011316
PNG
(CHEMBL3260743)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C26H20ClF3N6O2/c1-3-34-25(38)36-23(33-34)21(16-4-7-19(27)8-5-16)22(17-10-12-31-13-11-17)24(37)35(36)14-18-6-9-20(26(28,29)30)32-15(18)2/h4-13H,3,14H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011333
PNG
(CHEMBL3260753)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C26H21ClF3N7O2/c1-4-35-25(39)37-23(34-35)21(16-5-8-19(27)9-6-16)22(18-11-31-15(3)32-12-18)24(38)36(37)13-17-7-10-20(26(28,29)30)33-14(17)2/h5-12H,4,13H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011332
PNG
(CHEMBL3260752)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(CO)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C27H22ClF3N6O3/c1-3-35-26(40)37-24(34-35)22(16-4-8-19(28)9-5-16)23(17-6-10-20(14-38)32-12-17)25(39)36(37)13-18-7-11-21(27(29,30)31)33-15(18)2/h4-12,38H,3,13-14H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011331
PNG
(CHEMBL3260751)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C28H19ClN6O2/c1-2-33-28(37)35-26(32-33)24(21-11-13-23(29)14-12-21)25(22-9-7-19(16-31)8-10-22)27(36)34(35)17-20-5-3-18(15-30)4-6-20/h3-14H,2,17H2,1H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011317
PNG
(CHEMBL3260744)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(16.96,-15.83,;17.73,-14.5,;16.96,-13.17,;15.43,-13.01,;15.11,-11.5,;13.78,-10.73,;12.44,-11.51,;12.44,-13.05,;11.11,-13.82,;9.77,-13.05,;8.44,-13.82,;9.77,-11.51,;11.11,-10.74,;13.77,-9.2,;12.44,-8.43,;11.11,-9.2,;9.77,-8.43,;9.77,-6.89,;11.1,-6.12,;12.44,-6.89,;13.78,-5.75,;15.1,-8.42,;15.1,-6.89,;16.44,-9.19,;17.77,-8.42,;17.76,-6.87,;16.42,-6.12,;16.41,-4.58,;17.75,-3.79,;19.09,-4.55,;19.1,-6.1,;20.44,-6.86,;17.74,-2.25,;19.06,-1.47,;16.4,-1.49,;17.72,-.7,;16.44,-10.73,;17.58,-11.76,;19.09,-11.44,)|
Show InChI InChI=1S/C27H22ClF3N6O2/c1-4-35-26(39)37-24(34-35)22(17-5-8-19(28)9-6-17)23(20-11-12-32-13-15(20)2)25(38)36(37)14-18-7-10-21(27(29,30)31)33-16(18)3/h5-13H,4,14H2,1-3H3
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8.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011314
PNG
(CHEMBL3260741)
Show SMILES Cc1nc(ccc1Cn1n2c(nn(C)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C25H18ClF3N6O2/c1-14-17(5-8-19(31-14)25(27,28)29)13-34-23(36)21(16-9-11-30-12-10-16)20(15-3-6-18(26)7-4-15)22-32-33(2)24(37)35(22)34/h3-12H,13H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011307
PNG
(CHEMBL3260734)
Show SMILES COc1nn2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16ClF3N6O2/c1-36-22-20(15-3-5-17(25)6-4-15)19(16-8-10-29-11-9-16)21-31-33(23(35)34(21)32-22)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011329
PNG
(CHEMBL3260749)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(C)cc3)n2c1=O
Show InChI InChI=1S/C28H22ClN5O2/c1-3-32-28(36)34-26(31-32)24(21-12-14-23(29)15-13-21)25(22-10-8-19(16-30)9-11-22)27(35)33(34)17-20-6-4-18(2)5-7-20/h4-15H,3,17H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011315
PNG
(CHEMBL3260742)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C25H18ClF3N6O2/c1-2-33-24(37)35-22(32-33)20(16-4-6-18(26)7-5-16)21(17-9-11-30-12-10-17)23(36)34(35)14-15-3-8-19(31-13-15)25(27,28)29/h3-13H,2,14H2,1H3
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011309
PNG
(CHEMBL3260736)
Show SMILES Cn1n2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H16ClF3N6O2/c1-32-22(35)20(15-3-5-17(25)6-4-15)19(16-8-10-29-11-9-16)21-31-33(23(36)34(21)32)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r|
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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21n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011313
PNG
(CHEMBL3260740)
Show SMILES Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C24H16ClF3N6O2/c1-32-23(36)34-21(31-32)19(15-3-5-17(25)6-4-15)20(16-8-10-29-11-9-16)22(35)33(34)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011312
PNG
(CHEMBL3260739)
Show SMILES Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C25H17ClN6O2/c1-30-25(34)32-23(29-30)21(18-6-8-20(26)9-7-18)22(19-10-12-28-13-11-19)24(33)31(32)15-17-4-2-16(14-27)3-5-17/h2-13H,15H2,1H3
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011336
PNG
(CHEMBL3260756)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(nc3)N(C)C)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C27H23ClN8O2/c1-4-34-27(38)36-24(32-34)22(19-9-11-21(28)12-10-19)23(20-14-30-26(31-15-20)33(2)3)25(37)35(36)16-18-7-5-17(13-29)6-8-18/h5-12,14-15H,4,16H2,1-3H3
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r|
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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86n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011335
PNG
(CHEMBL3260755)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnn(C)c3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C25H20ClN7O2/c1-3-31-25(35)33-23(29-31)21(18-8-10-20(26)11-9-18)22(19-13-28-30(2)15-19)24(34)32(33)14-17-6-4-16(12-27)5-7-17/h4-11,13,15H,3,14H2,1-2H3
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92n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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98n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011306
PNG
(CHEMBL3260733)
Show SMILES Cc1nn2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16ClF3N6O/c1-14-20(16-3-5-18(25)6-4-16)21(17-8-10-29-11-9-17)22-32-33(23(35)34(22)31-14)13-15-2-7-19(30-12-15)24(26,27)28/h2-12H,13H2,1H3
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210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011311
PNG
(CHEMBL3260738)
Show SMILES Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C25H17ClN6O2/c1-30-25(34)32-23(29-30)21(19-10-12-28-13-11-19)22(18-6-8-20(26)9-7-18)24(33)31(32)15-17-4-2-16(14-27)3-5-17/h2-13H,15H2,1H3
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214n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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290n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129249
PNG
(CHEMBL3629534)
Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-24-16-14-23(15-17-24,20-6-4-3-5-7-20)18-27-22(25)13-10-19-8-11-21(26-2)12-9-19/h3-9,11-12H,10,13-18H2,1-2H3
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370n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50129249
PNG
(CHEMBL3629534)
Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-24-16-14-23(15-17-24,20-6-4-3-5-7-20)18-27-22(25)13-10-19-8-11-21(26-2)12-9-19/h3-9,11-12H,10,13-18H2,1-2H3
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380n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129179
PNG
(CHEMBL3629530)
Show SMILES COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-23-15-13-22(14-16-23,19-6-4-3-5-7-19)21(24)26-17-12-18-8-10-20(25-2)11-9-18/h3-11H,12-17H2,1-2H3
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640n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129249
PNG
(CHEMBL3629534)
Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-24-16-14-23(15-17-24,20-6-4-3-5-7-20)18-27-22(25)13-10-19-8-11-21(26-2)12-9-19/h3-9,11-12H,10,13-18H2,1-2H3
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670n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50129179
PNG
(CHEMBL3629530)
Show SMILES COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-23-15-13-22(14-16-23,19-6-4-3-5-7-19)21(24)26-17-12-18-8-10-20(25-2)11-9-18/h3-11H,12-17H2,1-2H3
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870n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129179
PNG
(CHEMBL3629530)
Show SMILES COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-23-15-13-22(14-16-23,19-6-4-3-5-7-19)21(24)26-17-12-18-8-10-20(25-2)11-9-18/h3-11H,12-17H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129251
PNG
(CHEMBL3627739)
Show SMILES COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O2/c1-25-16-14-23(15-17-25,20-6-4-3-5-7-20)18-24-22(26)13-10-19-8-11-21(27-2)12-9-19/h3-9,11-12H,10,13-18H2,1-2H3,(H,24,26)
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1.54E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50129251
PNG
(CHEMBL3627739)
Show SMILES COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O2/c1-25-16-14-23(15-17-25,20-6-4-3-5-7-20)18-24-22(26)13-10-19-8-11-21(27-2)12-9-19/h3-9,11-12H,10,13-18H2,1-2H3,(H,24,26)
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1.81E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50129257
PNG
(CHEMBL3629537)
Show SMILES COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-25-15-13-23(14-16-25,20-6-4-3-5-7-20)18-24-22(26)28-17-12-19-8-10-21(27-2)11-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
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2.05E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50129248
PNG
(CHEMBL3629533)
Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H31NO4/c1-25-15-13-24(14-16-25,20-7-5-4-6-8-20)18-29-23(26)12-10-19-9-11-21(27-2)22(17-19)28-3/h4-9,11,17H,10,12-16,18H2,1-3H3
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2.14E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129257
PNG
(CHEMBL3629537)
Show SMILES COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-25-15-13-23(14-16-25,20-6-4-3-5-7-20)18-24-22(26)28-17-12-19-8-10-21(27-2)11-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
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2.30E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129257
PNG
(CHEMBL3629537)
Show SMILES COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-25-15-13-23(14-16-25,20-6-4-3-5-7-20)18-24-22(26)28-17-12-19-8-10-21(27-2)11-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
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2.91E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129247
PNG
(CHEMBL3629532)
Show SMILES COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H28N2O2/c1-24-16-13-22(14-17-24,19-6-4-3-5-7-19)21(25)23-15-12-18-8-10-20(26-2)11-9-18/h3-11H,12-17H2,1-2H3,(H,23,25)
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3.29E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129251
PNG
(CHEMBL3627739)
Show SMILES COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O2/c1-25-16-14-23(15-17-25,20-6-4-3-5-7-20)18-24-22(26)13-10-19-8-11-21(27-2)12-9-19/h3-9,11-12H,10,13-18H2,1-2H3,(H,24,26)
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3.44E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129259
PNG
(CHEMBL3629539)
Show SMILES COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O2/c1-26-16-13-23(14-17-26,20-6-4-3-5-7-20)18-25-22(27)24-15-12-19-8-10-21(28-2)11-9-19/h3-11H,12-18H2,1-2H3,(H2,24,25,27)
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3.55E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129248
PNG
(CHEMBL3629533)
Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H31NO4/c1-25-15-13-24(14-16-25,20-7-5-4-6-8-20)18-29-23(26)12-10-19-9-11-21(27-2)22(17-19)28-3/h4-9,11,17H,10,12-16,18H2,1-3H3
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3.63E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
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