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Compile Data Set for Download or QSAR

Found 990 hits with Last Name = 'wen' and Initial = 'b'   
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
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039623
PNG
((2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,...)
Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50039613
PNG
((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50105595
PNG
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1
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0.120n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 307-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H130JX
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50366029
PNG
(CHEMBL1956465)
Show SMILES CCN(C(=O)CF)c1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31FN2O2/c1-2-28(25(30)17-26)22-10-6-9-20-15-24(29)23(16-21(20)22)27-13-11-19(12-14-27)18-7-4-3-5-8-18/h3-10,19,23-24,29H,2,11-17H2,1H3/t23-,24-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAchT


Bioorg Med Chem Lett 22: 2163-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.127
BindingDB Entry DOI: 10.7270/Q2K9380F
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50095010
PNG
(CHEMBL264437)
Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3|
Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50046952
PNG
((3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipi...)
Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to VAchT


Bioorg Med Chem Lett 22: 2163-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.127
BindingDB Entry DOI: 10.7270/Q2K9380F
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50105595
PNG
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1
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0.610n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 307-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H130JX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112757
PNG
(US8629141, 27)
Show SMILES OC(=O)CCCNC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
Show InChI InChI=1S/C27H28Cl2FN3O4/c28-15-9-10-17-19(14-15)32-25(37)27(17)21(16-6-4-7-18(29)22(16)30)23(24(36)31-13-5-8-20(34)35)33-26(27)11-2-1-3-12-26/h4,6-7,9-10,14,21,23,33H,1-3,5,8,11-13H2,(H,31,36)(H,32,37)(H,34,35)/t21-,23+,27+/m0/s1
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112759
PNG
(US8629141, 29)
Show SMILES OC(=O)c1ccc(CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 |r|
Show InChI InChI=1S/C31H28Cl2FN3O4/c32-19-11-12-21-23(15-19)36-29(41)31(21)24(20-5-4-6-22(33)25(20)34)26(37-30(31)13-2-1-3-14-30)27(38)35-16-17-7-9-18(10-8-17)28(39)40/h4-12,15,24,26,37H,1-3,13-14,16H2,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237734
PNG
(CHEMBL4098834)
Show SMILES CS(=O)(=O)NC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237764
PNG
(CHEMBL4060006)
Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(CC(O)=O)cs1 |r|
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1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237750
PNG
(CHEMBL4093562)
Show SMILES OC(=O)C12CC(C1)(C2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237738
PNG
(CHEMBL4064867)
Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112761
PNG
(US8629141, 31)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C31H28Cl2FN3O5/c1-42-23-14-16(28(39)40)8-11-21(23)35-27(38)26-24(18-6-5-7-20(33)25(18)34)31(30(37-26)12-3-2-4-13-30)19-10-9-17(32)15-22(19)36-29(31)41/h5-11,14-15,24,26,37H,2-4,12-13H2,1H3,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112766
PNG
(US8629141, 36)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cn1 |r|
Show InChI InChI=1S/C29H25Cl2FN4O4/c30-15-7-9-18-21(13-15)35-27(40)29(18)22(17-5-4-6-19(31)23(17)32)24(36-28(29)11-2-1-3-12-28)25(37)34-16-8-10-20(26(38)39)33-14-16/h4-10,13-14,22,24,36H,1-3,11-12H2,(H,34,37)(H,35,40)(H,38,39)/t22-,24+,29+/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237744
PNG
(CHEMBL4072857)
Show SMILES OC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237765
PNG
(CHEMBL4077687)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1F |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237739
PNG
(CHEMBL4091801)
Show SMILES CCN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237766
PNG
(CHEMBL4085815)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237745
PNG
(CHEMBL4064790)
Show SMILES CC1(C)CCC2(CC1)N[C@H]([C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:19.22,10.11,33.37,wD:9.34,36.41,(71.57,-7.52,;70.08,-7.92,;71.18,-9.01,;68.99,-9.01,;67.52,-8.61,;67.12,-7.13,;68.2,-6.04,;69.69,-6.44,;67.2,-5.6,;65.76,-5.05,;64.7,-6.28,;63.36,-4.76,;63.06,-3.24,;61.61,-2.75,;60.45,-3.75,;60.74,-5.27,;59.58,-6.28,;62.2,-5.77,;63.88,-6.76,;65.64,-7.54,;66.55,-8.79,;67.96,-9.95,;65.65,-10.05,;64.17,-9.58,;62.83,-10.35,;61.5,-9.58,;60.16,-10.35,;61.5,-8.04,;62.83,-7.27,;64.16,-8.03,;65.35,-3.57,;63.87,-3.17,;66.44,-2.47,;67.93,-2.87,;69,-1.77,;70.49,-2.17,;70.89,-3.66,;72.38,-4.05,;69.8,-4.74,;68.32,-4.35,)|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50018094
PNG
((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1
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1n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to VAChT Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237763
PNG
(CHEMBL4084366)
Show SMILES OC(=O)[C@H]1C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:18.31,19.22,5.7,wD:10.10,3.2,(15.44,-35.61,;15.03,-34.13,;16.12,-33.04,;13.55,-33.74,;12.87,-32.36,;11.49,-33.04,;12.17,-34.42,;10.03,-32.55,;8.88,-33.57,;7.45,-33,;9.26,-35.06,;10.7,-35.61,;10.62,-37.14,;11.02,-38.62,;12.5,-39.02,;13.59,-37.94,;13.19,-36.45,;11.7,-36.05,;9.14,-37.55,;8.2,-36.29,;6.86,-34.77,;6.56,-33.25,;5.11,-32.75,;3.95,-33.76,;4.24,-35.28,;3.08,-36.29,;5.7,-35.78,;7.38,-36.76,;10.05,-38.8,;11.46,-39.96,;9.15,-40.06,;7.67,-39.59,;6.33,-40.36,;5,-39.59,;3.66,-40.36,;5,-38.05,;6.33,-37.28,;7.66,-38.04,)|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM112773
PNG
(US8629141, 43)
Show SMILES OC(=O)c1cccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)c1 |r|
Show InChI InChI=1S/C30H26Cl2FN3O4/c31-17-10-11-20-22(15-17)35-28(40)30(20)23(19-8-5-9-21(32)24(19)33)25(36-29(30)12-2-1-3-13-29)26(37)34-18-7-4-6-16(14-18)27(38)39/h4-11,14-15,23,25,36H,1-3,12-13H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237759
PNG
(CHEMBL4064410)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:20.33,21.24,6.9,wD:12.12,3.2,(33.7,-7.1,;33.4,-5.59,;34.56,-4.57,;31.94,-5.09,;31.64,-3.58,;30.18,-3.08,;29.04,-4.09,;29.33,-5.61,;30.78,-6.1,;27.58,-3.6,;26.42,-4.62,;24.99,-4.05,;26.8,-6.11,;28.24,-6.65,;28.17,-8.19,;28.56,-9.67,;30.04,-10.07,;31.13,-8.99,;30.73,-7.5,;29.25,-7.1,;26.68,-8.6,;25.75,-7.34,;24.41,-5.82,;24.11,-4.3,;22.65,-3.8,;21.49,-4.81,;21.79,-6.33,;20.62,-7.34,;23.24,-6.83,;24.93,-7.81,;27.6,-9.85,;29,-11.01,;26.69,-11.11,;25.22,-10.64,;23.87,-11.41,;22.54,-10.64,;21.21,-11.41,;22.54,-9.1,;23.87,-8.33,;25.21,-9.09,)|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237768
PNG
(CHEMBL4063804)
Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(cs1)C(O)=O |r|
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1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237747
PNG
(CHEMBL4083298)
Show SMILES CC1(C)CCC2(CC1)N[C@H]([C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)C(O)=O |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50236827
PNG
(CHEMBL4066694)
Show SMILES COc1cc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)ccc1C(O)=O |r|
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<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237752
PNG
(CHEMBL4095706)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)c(F)c1 |r|
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1.20n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50039613
PNG
((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237741
PNG
(CHEMBL4071840)
Show SMILES OC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCC(F)(F)CC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
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1.30n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50073839
PNG
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237743
PNG
(CHEMBL4102205)
Show SMILES NC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 |r|
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1.90n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073277
PNG
(CHEMBL332680 | N-{3-[(3S,4R)-6-(5,6-Difluoro-benzo...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C
Show InChI InChI=1S/C28H25F5N2O6S2/c1-27(2)18(9-14-8-15(4-6-22(14)39-3)35-43(37,38)28(31,32)33)26(36)17-10-16(5-7-23(17)41-27)40-13-25-34-21-11-19(29)20(30)12-24(21)42-25/h4-8,10-12,18,26,35-36H,9,13H2,1-3H3/t18-,26-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237762
PNG
(CHEMBL4072993)
Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1 |r,wU:19.31,20.22,6.6,wD:11.10,3.2,(34.1,-31.43,;32.64,-30.93,;32.34,-29.42,;31.48,-31.94,;30.02,-31.45,;28.86,-32.46,;29.17,-33.97,;28.02,-34.98,;26.56,-34.49,;25.4,-35.51,;23.97,-34.95,;25.78,-37,;27.22,-37.55,;27.15,-39.08,;27.54,-40.57,;29.02,-40.96,;30.11,-39.88,;29.71,-38.4,;28.23,-37.99,;25.66,-39.49,;24.73,-38.23,;23.39,-36.71,;23.09,-35.19,;21.63,-34.7,;20.47,-35.71,;20.77,-37.22,;19.6,-38.23,;22.22,-37.72,;23.91,-38.71,;26.58,-40.74,;27.98,-41.9,;25.67,-42,;24.2,-41.53,;22.86,-42.3,;21.52,-41.53,;20.19,-42.3,;21.52,-39.99,;22.85,-39.22,;24.19,-39.98,;30.63,-34.46,;31.78,-33.45,)|
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2.20n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237757
PNG
(CHEMBL4101295)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(N)=O |r|
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2.20n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237735
PNG
(CHEMBL4100233)
Show SMILES CC1(C)CC2(C1)N[C@H]([C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:17.20,8.9,31.35,wD:7.32,34.39,(50.67,-37.89,;49.19,-38.3,;50.28,-39.38,;47.86,-39.06,;47.1,-37.73,;48.43,-36.97,;47.17,-36.2,;45.73,-35.65,;44.68,-36.88,;43.34,-35.36,;43.04,-33.84,;41.58,-33.34,;40.42,-34.35,;40.72,-35.87,;39.55,-36.88,;42.17,-36.37,;43.86,-37.35,;45.61,-38.14,;46.53,-39.39,;47.93,-40.55,;45.62,-40.65,;44.14,-40.18,;42.8,-40.95,;41.47,-40.18,;40.14,-40.95,;41.47,-38.64,;42.8,-37.87,;44.14,-38.63,;45.33,-34.17,;43.84,-33.77,;46.41,-33.07,;47.9,-33.47,;48.97,-32.37,;50.47,-32.77,;50.87,-34.26,;52.35,-34.65,;49.78,-35.34,;48.3,-34.95,)|
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2.40n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50236970
PNG
(CHEMBL4080118)
Show SMILES OC(=O)Cc1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 |r|
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2.5n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237753
PNG
(CHEMBL4085388)
Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(co1)C(O)=O |r|
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2.70n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50292907
PNG
((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237736
PNG
(CHEMBL4103467)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)o1 |r|
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2.80n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237751
PNG
(CHEMBL4066543)
Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(C(O)=O)c(C)o1 |r|
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3.10n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112767
PNG
(US8629141, 37)
Show SMILES OC(=O)CN1CCC(CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
Show InChI InChI=1S/C30H33Cl2FN4O4/c31-17-7-8-20-22(15-17)35-28(41)30(20)24(19-5-4-6-21(32)25(19)33)26(36-29(30)11-2-1-3-12-29)27(40)34-18-9-13-37(14-10-18)16-23(38)39/h4-8,15,18,24,26,36H,1-3,9-14,16H2,(H,34,40)(H,35,41)(H,38,39)/t24-,26+,30+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM112768
PNG
(US8629141, 38)
Show SMILES CC(=O)N1CC(C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
Show InChI InChI=1S/C28H29Cl2FN4O3/c1-15(36)35-13-17(14-35)32-25(37)24-22(18-6-5-7-20(30)23(18)31)28(27(34-24)10-3-2-4-11-27)19-9-8-16(29)12-21(19)33-26(28)38/h5-9,12,17,22,24,34H,2-4,10-11,13-14H2,1H3,(H,32,37)(H,33,38)/t22-,24+,28+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL




J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50329778
PNG
((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...)
Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1
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3.57n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins


Bioorg Med Chem 18: 7659-67 (2010)


Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50329778
PNG
((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...)
Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1
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3.68n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins


Bioorg Med Chem 18: 7659-67 (2010)


Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073279
PNG
(CHEMBL119214 | N-{3-[(3S,4R)-6-(7-Chloro-quinolin-...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C
Show InChI InChI=1S/C30H28ClF3N2O6S/c1-29(2)24(13-18-12-20(8-10-26(18)40-3)36-43(38,39)30(32,33)34)28(37)23-15-22(9-11-27(23)42-29)41-16-21-7-5-17-4-6-19(31)14-25(17)35-21/h4-12,14-15,24,28,36-37H,13,16H2,1-3H3/t24-,28-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073276
PNG
(CHEMBL120200 | N-{4-Chloro-3-[(3S,4R)-6-(5,6-diflu...)
Show SMILES CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C27H22ClF5N2O5S2/c1-26(2)17(8-13-7-14(3-5-18(13)28)35-42(37,38)27(31,32)33)25(36)16-9-15(4-6-22(16)40-26)39-12-24-34-21-10-19(29)20(30)11-23(21)41-24/h3-7,9-11,17,25,35-36H,8,12H2,1-2H3/t17-,25-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
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