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Compile Data Set for Download or QSAR

Found 367 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4282   
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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61668
PNG
((6Z)-7-azanylidene-6-[[3-methoxy-4-[2-(2-methoxyph...)
Show SMILES COc1ccccc1OCCOc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1OC |w:16.16|
Show InChI InChI=1S/C24H23N3O6/c1-15-12-22-26-24(28)17(23(25)27(22)33-15)13-16-8-9-20(21(14-16)30-3)32-11-10-31-19-7-5-4-6-18(19)29-2/h4-9,12-14,25H,1,10-11H2,2-3H3,(H,26,28)/b17-13-,25-23?
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n/an/a 212n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54718
PNG
(2-(Cyclopentyl-{2-[5-(5-methyl-furan-2-yl)-tetrazo...)
Show SMILES CCCC(N(C1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)o1)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H34N6O3/c1-3-8-19(23(31)24-17-9-4-5-10-17)29(18-11-6-7-12-18)21(30)15-28-26-22(25-27-28)20-14-13-16(2)32-20/h13-14,17-19H,3-12,15H2,1-2H3,(H,24,31)
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n/an/a 221n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
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n/an/a 586n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM33049
PNG
((4-chlorodithiazol-5-ylidene)-(3,5-dimethoxyphenyl...)
Show SMILES COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
Show InChI InChI=1S/C10H9ClN2O2S2/c1-14-7-3-6(4-8(5-7)15-2)12-10-9(11)13-17-16-10/h3-5H,1-2H3/b12-10+
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n/an/a 738n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61738
PNG
(7-[(2-chlorobenzoyl)amino]-3-methyl-8-oxo-5-thia-1...)
Show SMILES CC1=C(N2C(SC1)C(NC(=O)c1ccccc1Cl)C2=O)C(O)=O |t:1|
Show InChI InChI=1S/C15H13ClN2O4S/c1-7-6-23-14-10(13(20)18(14)11(7)15(21)22)17-12(19)8-4-2-3-5-9(8)16/h2-5,10,14H,6H2,1H3,(H,17,19)(H,21,22)
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n/an/a 749n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50000778
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |w:2.2,c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,20H,1-4H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM29632
PNG
(2-[2-(3-keto-1,2-benzothiazol-2-yl)thiazol-4-yl]ac...)
Show SMILES CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H12N2O3S2/c1-2-19-12(17)7-9-8-20-14(15-9)16-13(18)10-5-3-4-6-11(10)21-16/h3-6,8H,2,7H2,1H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61684
PNG
(1-(2,3-dichlorophenyl)-3-(4,6-dimethyl-2-pyridinyl...)
Show SMILES Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C14H13Cl2N3S/c1-8-6-9(2)17-12(7-8)19-14(20)18-11-5-3-4-10(15)13(11)16/h3-7H,1-2H3,(H2,17,18,19,20)
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n/an/a 1.27E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM34791
PNG
(MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...)
Show SMILES CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3S/c1-12-8-10-14(11-9-12)19-15(18-16(17-2)20-19)13-6-4-3-5-7-13/h3-11H,1-2H3/p+1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61747
PNG
(3-nitro-4-[2-(1-thiophen-2-ylethylidene)hydrazinyl...)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1 |w:3.3|
Show InChI InChI=1S/C12H12N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-8H,1H3,(H2,13,19,20)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51598
PNG
(8-[(dimethylamino)methyl]-6-ethyl-3-(2-fluoranylph...)
Show SMILES CCc1cc2c(oc(C)c(Oc3ccccc3F)c2=O)c(CN(C)C)c1O
Show InChI InChI=1S/C21H22FNO4/c1-5-13-10-14-19(25)20(27-17-9-7-6-8-16(17)22)12(2)26-21(14)15(18(13)24)11-23(3)4/h6-10,24H,5,11H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61660
PNG
(8-(3-fluorophenyl)-3-(4-fluorophenyl)-6-keto-2,4,7...)
Show SMILES Fc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(F)c1 |c:11|
Show InChI InChI=1S/C20H15F2N3OS/c21-14-4-6-16(7-5-14)24-11-25-19(26)9-17(13-2-1-3-15(22)8-13)18(10-23)20(25)27-12-24/h1-8,17H,9,11-12H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61667
PNG
(6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-...)
Show SMILES CNC(=O)C1C(C(C#N)C(=N)NC1=S)c1ccccc1
Show InChI InChI=1S/C14H14N4OS/c1-17-13(19)11-10(8-5-3-2-4-6-8)9(7-15)12(16)18-14(11)20/h2-6,9-11H,1H3,(H,17,19)(H2,16,18,20)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61724
PNG
((8S)-3-(3-methacrylamidophenyl)-7-(1-methylcyclopr...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C2(C)CC2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C22H26N4O4/c1-13(2)19(28)24-15-6-4-5-14(9-15)16-10-22(30-25-16)11-17(18(23)27)26(12-22)20(29)21(3)7-8-21/h4-6,9,17H,1,7-8,10-12H2,2-3H3,(H2,23,27)(H,24,28)/t17-,22?/m0/s1
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n/an/a 1.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51541
PNG
(2-(4-Amino-phenyl)-4-chloro-3H-benzoimidazol-5-yla...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)c(Cl)c2[nH]1
Show InChI InChI=1S/C13H11ClN4/c14-11-9(16)5-6-10-12(11)18-13(17-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2,(H,17,18)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61669
PNG
((4-acetamidophenyl) 6-bromanyl-2-oxidanylidene-chr...)
Show SMILES CC(=O)Nc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1
Show InChI InChI=1S/C18H12BrNO5/c1-10(21)20-13-3-5-14(6-4-13)24-17(22)15-9-11-8-12(19)2-7-16(11)25-18(15)23/h2-9H,1H3,(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54719
PNG
(MLS000078501 | SMR000041678 | cid_660904)
Show SMILES Cc1cccc(c1)-n1cnc2n(Cc3ccco3)c3nc4ccccc4nc3c2c1=O
Show InChI InChI=1S/C24H17N5O2/c1-15-6-4-7-16(12-15)29-14-25-22-20(24(29)30)21-23(28(22)13-17-8-5-11-31-17)27-19-10-3-2-9-18(19)26-21/h2-12,14H,13H2,1H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM53124
PNG
(4-methoxy-N-[5-[2-oxidanylidene-2-[2-[(E)-(2-oxida...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)cc2O)s1 |w:19.19|
Show InChI InChI=1S/C19H17N5O5S/c1-29-14-6-3-11(4-7-14)18(28)21-19-24-23-17(30-19)9-16(27)22-20-10-12-2-5-13(25)8-15(12)26/h2-8,10,25-26H,9H2,1H3,(H,22,27)(H,21,24,28)
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n/an/a 2.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61717
PNG
(1-Methyl-3-{phenyl-[(E)-p-tolylimino]-methyl}-thio...)
Show SMILES CNC(=S)N=C(Nc1ccc(C)cc1)c1ccccc1 |w:4.3|
Show InChI InChI=1S/C16H17N3S/c1-12-8-10-14(11-9-12)18-15(19-16(20)17-2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18,19,20)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM49132
PNG
(6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2,3-...)
Show SMILES O=C(N1CCC2(CC1)OCCO2)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C24H21N3O5/c28-23(27-9-7-24(8-10-27)31-13-14-32-24)16-5-6-17-18(15-16)26-22(20-4-2-12-30-20)21(25-17)19-3-1-11-29-19/h1-6,11-12,15H,7-10,13-14H2
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n/an/a 2.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50582
PNG
(2-(2-furanyl)-N-[4-methoxy-3-(4-morpholinylsulfony...)
Show SMILES COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C25H23N3O6S/c1-32-23-9-8-17(15-24(23)35(30,31)28-10-13-33-14-11-28)26-25(29)19-16-21(22-7-4-12-34-22)27-20-6-3-2-5-18(19)20/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,26,29)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM34943
PNG
(3-(2-hydrazino-2-keto-ethoxy)pyrid[1,2-a]indole-10...)
Show SMILES CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
Show InChI InChI=1S/C17H17N3O4/c1-2-23-17(22)16-12-7-6-11(24-10-15(21)19-18)9-14(12)20-8-4-3-5-13(16)20/h3-9H,2,10,18H2,1H3,(H,19,21)
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n/an/a 2.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54731
PNG
(MLS000580536 | N-[3-(1H-benzimidazol-2-yl)phenyl]-...)
Show SMILES Clc1ccc(SCC(=O)Nc2cccc(c2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H16ClN3OS/c22-15-8-10-17(11-9-15)27-13-20(26)23-16-5-3-4-14(12-16)21-24-18-6-1-2-7-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61764
PNG
(MLS001162637 | N-(1,1-diketo-2,3-dihydrothiophen-3...)
Show SMILES Fc1ccccc1\C=C1/SC(=S)N(CCC(=O)NC2CS(=O)(=O)C=C2)C1=O |c:24|
Show InChI InChI=1S/C17H15FN2O4S3/c18-13-4-2-1-3-11(13)9-14-16(22)20(17(25)26-14)7-5-15(21)19-12-6-8-27(23,24)10-12/h1-4,6,8-9,12H,5,7,10H2,(H,19,21)/b14-9-
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n/an/a 2.87E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61163
PNG
(1H-[1,2,4]Triazole-3-carboxylic acid (2-naphthalen...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1cccc2ccccc12)c1nnc[nH]1
Show InChI InChI=1S/C20H13N5O2/c26-19(18-21-11-22-25-18)23-13-8-9-17-16(10-13)24-20(27-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,21,22,25)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50730
PNG
(MLS000762993 | SMR000438273 | Sodium; 2-benzothiaz...)
Show SMILES Cc1n(Cc2ccccc2)c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c12
Show InChI InChI=1S/C21H16N4O2S/c1-13-19-16(11-18(26)24(13)12-14-7-3-2-4-8-14)23-25(20(19)27)21-22-15-9-5-6-10-17(15)28-21/h2-11H,12H2,1H3,(H,23,26)/p-1
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n/an/a 3.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51786
PNG
(3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyp...)
Show SMILES COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C28H25N3O8/c1-15-25-21(18(13-29-15)14-38-16(2)32)12-22(26(33)31-23-9-8-20(36-3)11-24(23)37-4)27(39-25)30-19-7-5-6-17(10-19)28(34)35/h5-13H,14H2,1-4H3,(H,31,33)(H,34,35)/b30-27-
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n/an/a 3.13E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/a 3.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM48795
PNG
(4-(2-{[1-(3-chlorophenyl)-2,5-dioxo-4-imidazolidin...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
Show InChI InChI=1S/C21H14ClN3O4/c22-14-3-1-4-17(11-14)25-19(26)18(23-21(25)29)12-16-5-2-10-24(16)15-8-6-13(7-9-15)20(27)28/h1-12H,(H,23,29)(H,27,28)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54735
PNG
((5E)-3-ethyl-5-[(5-methyl-2-furanyl)methylidene]im...)
Show SMILES CCN1C(=O)N\C(=C\c2ccc(C)o2)C1=O
Show InChI InChI=1S/C11H12N2O3/c1-3-13-10(14)9(12-11(13)15)6-8-5-4-7(2)16-8/h4-6H,3H2,1-2H3,(H,12,15)/b9-6+
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n/an/a 3.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 3.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54763
PNG
(4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2...)
Show SMILES CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
Show InChI InChI=1S/C19H12ClNO5/c1-10(22)21(12-8-6-11(7-9-12)19(25)26)16-15(20)17(23)13-4-2-3-5-14(13)18(16)24/h2-9H,1H3,(H,25,26)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM47798
PNG
(4-chloranyl-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl...)
Show SMILES CNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
Show InChI InChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM48833
PNG
((5Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-6-9(5-12(15(13)21)20(24)25)7-14-16(22)19(17(23)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50455
PNG
(MLS000409278 | N-[4-[2-[3-(dimethylsulfamoyl)anili...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC2=NN=C(CS2)c2ccc(NC(C)=O)cc2)c1 |c:14,t:12|
Show InChI InChI=1S/C19H21N5O3S2/c1-13(25)20-15-9-7-14(8-10-15)18-12-28-19(23-22-18)21-16-5-4-6-17(11-16)29(26,27)24(2)3/h4-11H,12H2,1-3H3,(H,20,25)(H,21,23)
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n/an/a 3.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50453
PNG
(3-nitro-4-(N'-piperonylidenehydrazino)benzenesulfo...)
Show SMILES NS(=O)(=O)c1ccc(N=NCc2ccc3OCOc3c2)c(c1)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C14H12N4O6S/c15-25(21,22)10-2-3-11(12(6-10)18(19)20)17-16-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H2,15,21,22)
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n/an/a 3.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50600
PNG
(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Show SMILES CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
Show InChI InChI=1S/C18H18ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12H,2-4,7-8H2,1H3
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n/an/a 3.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM60444
PNG
(3-(4-methylphenyl)-6-oxidanylidene-8-thiophen-2-yl...)
Show SMILES Cc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:11|
Show InChI InChI=1S/C19H17N3OS2/c1-13-4-6-14(7-5-13)21-11-22-18(23)9-15(17-3-2-8-24-17)16(10-20)19(22)25-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 3.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61658
PNG
(5-(dimethylamino)-2-methyl-3-phenyl-1,2,4-thiadiaz...)
Show SMILES CN(C)c1nc(-c2ccccc2)n(C)[s+]1
Show InChI InChI=1S/C11H14N3S/c1-13(2)11-12-10(14(3)15-11)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
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n/an/a 3.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM40956
PNG
(1-[2-[4-(4-chlorobenzyl)oxyphenyl]-4-cyano-oxazol-...)
Show SMILES NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM40991
PNG
(5,6-bis(2-furanyl)-4-furo[2,3-d]pyrimidinamine | 5...)
Show SMILES Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
Show InChI InChI=1S/C14H9N3O3/c15-13-11-10(8-3-1-5-18-8)12(9-4-2-6-19-9)20-14(11)17-7-16-13/h1-7H,(H2,15,16,17)
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n/an/a 3.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51263
PNG
(1,4-bis(oxidanyl)naphthalene-2,3-dicarbonitrile | ...)
Show SMILES Oc1c(C#N)c(C#N)c(O)c2ccccc12
Show InChI InChI=1S/C12H6N2O2/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4,15-16H
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n/an/a 3.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54754
PNG
(3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4...)
Show SMILES OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
Show InChI InChI=1S/C20H15NO3/c22-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)21-19(13)16/h1-6,8-9,11,22H,7,10H2,(H,23,24)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM35730
PNG
(cid_694792 | sulfonamide deriv., 5e)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
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n/an/a 3.86E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50398
PNG
((4Z)-3-(4-nitrophenyl)-4-[(3-nitrophenyl)hydraziny...)
Show SMILES NC(=S)n1[n-]c(c(N=[NH+]c2cccc(c2)[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
Show InChI InChI=1S/C16H11N7O5S/c17-16(29)21-15(24)14(19-18-10-2-1-3-12(8-10)23(27)28)13(20-21)9-4-6-11(7-5-9)22(25)26/h1-8H,(H3,17,18,20,24,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61736
PNG
(Benzofuran-2-carboxylic acid [4-(4-fluoro-benzoyla...)
Show SMILES COc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C23H17FN2O4/c1-29-20-13-17(25-22(27)14-6-8-16(24)9-7-14)10-11-18(20)26-23(28)21-12-15-4-2-3-5-19(15)30-21/h2-13H,1H3,(H,25,27)(H,26,28)
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n/an/a 4.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61771
PNG
(4-[2-(naphtho[2,1-b]furan-2-ylcarbonyl)carbohydraz...)
Show SMILES CC(=O)Oc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1
Show InChI InChI=1S/C22H16N2O4/c1-14(25)27-17-9-6-15(7-10-17)13-23-24-22(26)21-12-19-18-5-3-2-4-16(18)8-11-20(19)28-21/h2-13H,1H3,(H,24,26)
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n/an/a 4.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51298
PNG
(4-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-10-11-20(31-17)15-6-8-16(9-7-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-4-2-1-3-5-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 4.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM29622
PNG
(MLS000078195 | SMR000041517 | cid_660761)
Show SMILES Cc1cc(C)cc(c1)-n1c2ncn(Cc3ccco3)c(=O)c2c2nc3ccccc3nc12
Show InChI InChI=1S/C25H19N5O2/c1-15-10-16(2)12-17(11-15)30-23-21(22-24(30)28-20-8-4-3-7-19(20)27-22)25(31)29(14-26-23)13-18-6-5-9-32-18/h3-12,14H,13H2,1-2H3
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n/an/a 4.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
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