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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'lotarski' and Initial = 'sm'   
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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 5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240692
PNG
(CHEMBL4078588)
Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r|
Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1
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 8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method

J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240694
PNG
(CHEMBL4067722)
Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|
Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method

J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method

J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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 22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135213
PNG
(CHEMBL3747016)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates

J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50210964
PNG
(3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
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 72n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216762
PNG
(3-chloro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C17H11ClN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216758
PNG
(3-methyl-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C18H14N2/c1-12-7-14(11-19)9-17(8-12)16-6-5-15-4-3-13(2)20-18(15)10-16/h3-10H,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216749
PNG
(3-(methoxymethyl)-5-(2-methylquinolin-7-yl)benzoni...)
Show SMILES COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2O/c1-13-3-4-16-5-6-17(10-19(16)21-13)18-8-14(11-20)7-15(9-18)12-22-2/h3-10H,12H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216750
PNG
(5-(2-methylquinolin-7-yl)isophthalonitrile | CHEMB...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C18H11N3/c1-12-2-3-15-4-5-16(9-18(15)21-12)17-7-13(10-19)6-14(8-17)11-20/h2-9H,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216761
PNG
(3-methoxy-5-(2-methylquinolin-7-yl)benzonitrile | ...)
Show SMILES COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C18H14N2O/c1-12-3-4-14-5-6-15(10-18(14)20-12)16-7-13(11-19)8-17(9-16)21-2/h3-10H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50210964
PNG
(3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
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n/an/a 7.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216741
PNG
(3-bromo-5-(2-methylquinolin-7-yl)benzonitrile | CH...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Br)cc(c1)C#N
Show InChI InChI=1S/C17H11BrN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216770
PNG
(3-ethoxy-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES CCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2O/c1-3-22-18-9-14(12-20)8-17(10-18)16-7-6-15-5-4-13(2)21-19(15)11-16/h4-11H,3H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216745
PNG
(5-(2-methylquinolin-7-yl)nicotinonitrile | CHEMBL2...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H11N3/c1-11-2-3-13-4-5-14(7-16(13)19-11)15-6-12(8-17)9-18-10-15/h2-7,9-10H,1H3
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080037
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(4-tert-butyl-benzyl...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C38H51N3O4/c1-26(2)23-33(41(9)25-28-15-19-30(20-16-28)37(3,4)5)35(43)39-32(34(42)40-38(6,7)8)24-27-17-21-31(22-18-27)45-36(44)29-13-11-10-12-14-29/h10-22,26,32-33H,23-25H2,1-9H3,(H,39,43)(H,40,42)/t32-,33-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)		BDBM50080153
PNG
((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...)
Show SMILES NCC1(CC(O)=O)CCCCC1
Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane

Bioorg Med Chem Lett 16: 2333-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.05.016
BindingDB Entry DOI: 10.7270/Q2CV4JJZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216752
PNG
(3-(ethylthio)-5-(2-methylquinolin-7-yl)benzonitril...)
Show SMILES CCSc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2S/c1-3-22-18-9-14(12-20)8-17(10-18)16-7-6-15-5-4-13(2)21-19(15)11-16/h4-11H,3H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216766
PNG
(3-(2-methylquinolin-7-yl)-5-(trifluoromethoxy)benz...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C18H11F3N2O/c1-11-2-3-13-4-5-14(9-17(13)23-11)15-6-12(10-22)7-16(8-15)24-18(19,20)21/h2-9H,1H3
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n/an/a 75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216768
PNG
(3-(2-methoxyethoxy)-5-(2-methylquinolin-7-yl)benzo...)
Show SMILES COCCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C20H18N2O2/c1-14-3-4-16-5-6-17(12-20(16)22-14)18-9-15(13-21)10-19(11-18)24-8-7-23-2/h3-6,9-12H,7-8H2,1-2H3
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n/an/a 82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)		BDBM50168499
PNG
((1-((1H-tetrazol-5-yl)methyl)cycloheptyl)methanami...)
Show SMILES NCC1(Cc2nnn[nH]2)CCCCCC1
Show InChI InChI=1S/C10H19N5/c11-8-10(5-3-1-2-4-6-10)7-9-12-14-15-13-9/h1-8,11H2,(H,12,13,14,15)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane

Bioorg Med Chem Lett 16: 2333-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.05.016
BindingDB Entry DOI: 10.7270/Q2CV4JJZ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)		BDBM50212317
PNG
((1-((1H-tetrazol-5-yl)methyl)cyclohexyl)methanamin...)
Show SMILES NCC1(Cc2nnn[nH]2)CCCCC1
Show InChI InChI=1S/C9H17N5/c10-7-9(4-2-1-3-5-9)6-8-11-13-14-12-8/h1-7,10H2,(H,11,12,13,14)
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n/an/a 108n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane

Bioorg Med Chem Lett 16: 2333-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.05.016
BindingDB Entry DOI: 10.7270/Q2CV4JJZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080046
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(4-bromo-benzyl)-met...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H42BrN3O4/c1-23(2)20-30(38(6)22-25-12-16-27(35)17-13-25)32(40)36-29(31(39)37-34(3,4)5)21-24-14-18-28(19-15-24)42-33(41)26-10-8-7-9-11-26/h7-19,23,29-30H,20-22H2,1-6H3,(H,36,40)(H,37,39)/t29-,30-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080305
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(3,3-dimethyl-...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCCC(C)(C)C)cc1
Show InChI InChI=1S/C35H61N5O2/c1-27(2)16-25-40(30-14-12-29(13-15-30)36-20-19-35(5,6)7)31-17-23-38(24-18-31)33(41)32(26-28(3)4)37-34(42)39-21-10-8-9-11-22-39/h12-15,27-28,31-32,36H,8-11,16-26H2,1-7H3,(H,37,42)/t32-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080309
PNG
(Azepane-1-carboxylic acid (1-{4-[(4-benzyloxy-phen...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C36H54N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-17,28-29,32,34H,5-6,10-11,18-27H2,1-4H3,(H,37,42)/t34-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076117
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H47N3O4/c1-23(2)21-29(36(6)26-15-11-8-12-16-26)31(38)34-28(30(37)35-33(3,4)5)22-24-17-19-27(20-18-24)40-32(39)25-13-9-7-10-14-25/h7,9-10,13-14,17-20,23,26,28-29H,8,11-12,15-16,21-22H2,1-6H3,(H,34,38)(H,35,37)/t28-,29-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080035
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H42ClN3O4/c1-23(2)20-30(38(6)22-25-12-16-27(35)17-13-25)32(40)36-29(31(39)37-34(3,4)5)21-24-14-18-28(19-15-24)42-33(41)26-10-8-7-9-11-26/h7-19,23,29-30H,20-22H2,1-6H3,(H,36,40)(H,37,39)/t29-,30-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50081687
PNG
(Azepane-1-carboxylic acid ((S)-1-{2-[(4-benzyloxy-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]C([#6])([#6])[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C35H52N4O3/c1-27(2)20-23-39(30-16-18-31(19-17-30)42-25-29-14-10-9-11-15-29)26-35(5,6)37-33(40)32(24-28(3)4)36-34(41)38-21-12-7-8-13-22-38/h9-11,14-20,28,32H,7-8,12-13,21-26H2,1-6H3,(H,36,41)(H,37,40)/t32-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells

J Med Chem 42: 4239-49 (1999)


BindingDB Entry DOI: 10.7270/Q2QF8S22
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076108
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CCCCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N3O4/c1-8-9-19-34(7)27(20-22(2)3)29(36)32-26(28(35)33-31(4,5)6)21-23-15-17-25(18-16-23)38-30(37)24-13-11-10-12-14-24/h10-18,22,26-27H,8-9,19-21H2,1-7H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080041
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)N(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C36H48N4O4/c1-25(2)22-32(40(8)24-27-14-18-29(19-15-27)39(6)7)34(42)37-31(33(41)38-36(3,4)5)23-26-16-20-30(21-17-26)44-35(43)28-12-10-9-11-13-28/h9-21,25,31-32H,22-24H2,1-8H3,(H,37,42)(H,38,41)/t31-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080308
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(cyclohexylmet...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCC2CCCCC2)cc1
Show InChI InChI=1S/C36H61N5O2/c1-28(2)18-25-41(32-16-14-31(15-17-32)37-27-30-12-8-7-9-13-30)33-19-23-39(24-20-33)35(42)34(26-29(3)4)38-36(43)40-21-10-5-6-11-22-40/h14-17,28-30,33-34,37H,5-13,18-27H2,1-4H3,(H,38,43)/t34-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216767
PNG
(3-isopropoxy-5-(2-methylquinolin-7-yl)benzonitrile...)
Show SMILES CC(C)Oc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C20H18N2O/c1-13(2)23-19-9-15(12-21)8-18(10-19)17-7-6-16-5-4-14(3)22-20(16)11-17/h4-11,13H,1-3H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076112
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-4...)
Show SMILES CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H47N3O4/c1-22(2)18-19-35(8)28(20-23(3)4)30(37)33-27(29(36)34-32(5,6)7)21-24-14-16-26(17-15-24)39-31(38)25-12-10-9-11-13-25/h9-17,22-23,27-28H,18-21H2,1-8H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076106
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H45N3O6/c1-23(2)21-27(35-32(40)36-19-11-6-7-12-20-36)29(37)34-28(31(39)42-33(3,4)5)22-24-15-17-26(18-16-24)41-30(38)25-13-9-8-10-14-25/h8-10,13-18,23,27-28H,6-7,11-12,19-22H2,1-5H3,(H,34,37)(H,35,40)/t27-,28-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells

J Med Chem 42: 4239-49 (1999)


BindingDB Entry DOI: 10.7270/Q2QF8S22
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076106
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H45N3O6/c1-23(2)21-27(35-32(40)36-19-11-6-7-12-20-36)29(37)34-28(31(39)42-33(3,4)5)22-24-15-17-26(18-16-24)41-30(38)25-13-9-8-10-14-25/h8-10,13-18,23,27-28H,6-7,11-12,19-22H2,1-5H3,(H,34,37)(H,35,40)/t27-,28-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080314
PNG
(Azepane-1-carboxylic acid ((S)-1-{4-[(4-benzyloxy-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C36H52N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-18,29,32,34H,5-6,10-11,19-27H2,1-4H3,(H,37,42)/t34-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells

J Med Chem 42: 4239-49 (1999)


BindingDB Entry DOI: 10.7270/Q2QF8S22
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080314
PNG
(Azepane-1-carboxylic acid ((S)-1-{4-[(4-benzyloxy-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C36H52N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-18,29,32,34H,5-6,10-11,19-27H2,1-4H3,(H,37,42)/t34-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216737
PNG
(3-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile | ...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(O)cc(c1)C#N
Show InChI InChI=1S/C17H12N2O/c1-11-2-3-13-4-5-14(9-17(13)19-11)15-6-12(10-18)7-16(20)8-15/h2-9,20H,1H3
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n/an/a 360n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080040
PNG
(Benzoic acid 4-{(S)-2-[(S)-2-(benzyl-methyl-amino)...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H43N3O4/c1-24(2)21-30(37(6)23-26-13-9-7-10-14-26)32(39)35-29(31(38)36-34(3,4)5)22-25-17-19-28(20-18-25)41-33(40)27-15-11-8-12-16-27/h7-20,24,29-30H,21-23H2,1-6H3,(H,35,39)(H,36,38)/t29-,30-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076110
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CC(C)C[C@H](N(C)CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N3O4/c1-21(2)18-27(34(8)20-22(3)4)29(36)32-26(28(35)33-31(5,6)7)19-23-14-16-25(17-15-23)38-30(37)24-12-10-9-11-13-24/h9-17,21-22,26-27H,18-20H2,1-8H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076101
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2...)
Show SMILES CC(C)C[C@H](N(C)CCC(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49N3O4/c1-23(2)21-28(36(9)20-19-32(3,4)5)30(38)34-27(29(37)35-33(6,7)8)22-24-15-17-26(18-16-24)40-31(39)25-13-11-10-12-14-25/h10-18,23,27-28H,19-22H2,1-9H3,(H,34,38)(H,35,37)/t27-,28-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080317
PNG
(Azepane-1-carboxylic acid (1-{4-[(4-benzylamino-ph...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C36H55N5O2/c1-28(2)18-25-41(32-16-14-31(15-17-32)37-27-30-12-8-7-9-13-30)33-19-23-39(24-20-33)35(42)34(26-29(3)4)38-36(43)40-21-10-5-6-11-22-40/h7-9,12-17,28-29,33-34,37H,5-6,10-11,18-27H2,1-4H3,(H,38,43)/t34-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216769
PNG
(2-(3-(2-methylquinolin-7-yl)phenyl)acetonitrile | ...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(CC#N)c1
Show InChI InChI=1S/C18H14N2/c1-13-5-6-15-7-8-17(12-18(15)20-13)16-4-2-3-14(11-16)9-10-19/h2-8,11-12H,9H2,1H3
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n/an/a 430n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50081692
PNG
(Azepane-1-carboxylic acid ((S)-1-{4-[benzyl-(4-ben...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC(CC1)N(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C38H50N4O3/c1-30(2)27-36(39-38(44)41-23-11-3-4-12-24-41)37(43)40-25-21-34(22-26-40)42(28-31-13-7-5-8-14-31)33-17-19-35(20-18-33)45-29-32-15-9-6-10-16-32/h5-10,13-20,30,34,36H,3-4,11-12,21-29H2,1-2H3,(H,39,44)/t36-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells

J Med Chem 42: 4239-49 (1999)


BindingDB Entry DOI: 10.7270/Q2QF8S22
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50081689
PNG
((S)-1-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-eny...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C34H51N3O2/c1-26(2)16-20-35-33(24-28(5)6)34(38)36-21-18-31(19-22-36)37(23-17-27(3)4)30-12-14-32(15-13-30)39-25-29-10-8-7-9-11-29/h7-15,17,26,28,31,33,35H,16,18-25H2,1-6H3/t33-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells

J Med Chem 42: 4239-49 (1999)


BindingDB Entry DOI: 10.7270/Q2QF8S22
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080316
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(4-dimethylami...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C38H60N6O2/c1-29(2)19-26-44(34-17-13-32(14-18-34)39-28-31-11-15-33(16-12-31)41(5)6)35-20-24-42(25-21-35)37(45)36(27-30(3)4)40-38(46)43-22-9-7-8-10-23-43/h11-18,29-30,35-36,39H,7-10,19-28H2,1-6H3,(H,40,46)/t36-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080036
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2...)
Show SMILES COc1ccc(CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)NC(C)(C)C)cc1
Show InChI InChI=1S/C35H45N3O5/c1-24(2)21-31(38(6)23-26-15-17-28(42-7)18-16-26)33(40)36-30(32(39)37-35(3,4)5)22-25-13-19-29(20-14-25)43-34(41)27-11-9-8-10-12-27/h8-20,24,30-31H,21-23H2,1-7H3,(H,36,40)(H,37,39)/t30-,31-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
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