new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4355 hits with Last Name = 'patel' and Initial = 'r'   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180197
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 1612-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50388878
PNG
(CHEMBL1999931 | US9163007, 73)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.400n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185854
PNG
(US9163007, 185)
Show SMILES CN(C)c1ccc(cc1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1
Show InChI InChI=1S/C24H23N7/c1-30(2)19-11-8-17(9-12-19)23-22(18-10-13-21-20(14-18)24(25)28-26-21)27-29-31(23)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H3,25,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185901
PNG
(US9163007, 408)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN5/c1-15-20-13-18(9-12-21(20)26-25-15)22-23(17-7-10-19(24)11-8-17)29(28-27-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.428n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185888
PNG
(US9163007, 395)
Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185899
PNG
(US9163007, 406)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1cccs1
Show InChI InChI=1S/C20H16N6S/c21-20-15-11-14(8-9-16(15)22-24-20)18-19(17-7-4-10-27-17)26(25-23-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,21,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50388878
PNG
(CHEMBL1999931 | US9163007, 73)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.600n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185839
PNG
(US9163007, 87)
Show SMILES C(c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.601n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185858
PNG
(US9163007, 198)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185846
PNG
(US9163007, 151)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185858
PNG
(US9163007, 198)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185863
PNG
(US9163007, 205)
Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185888
PNG
(US9163007, 395)
Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367721
PNG
(CHEMBL1202512)
Show SMILES O=C1C2C(C3CCC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H33N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,8-9,16-21H,1-2,4-7,10-15H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367438
PNG
(CHEMBL1743957)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3ccc4ccccc4n3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C28H23F2N3/c29-20-6-10-23(11-7-20)33-27-12-8-21(30)17-24(27)25-18-32(16-14-28(25)33)15-13-22-9-5-19-3-1-2-4-26(19)31-22/h1-12,17H,13-16,18H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367437
PNG
(CHEMBL1743956)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCCCc3ccnc4ccccc34)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C30H27F2N3/c31-22-8-11-24(12-9-22)35-29-13-10-23(32)19-26(29)27-20-34(18-15-30(27)35)17-4-3-5-21-14-16-33-28-7-2-1-6-25(21)28/h1-2,6-14,16,19H,3-5,15,17-18,20H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185850
PNG
(US9163007, 167)
Show SMILES Fc1ccc(cc1)-c1c(nnn1CC1CCOCC1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C21H20FN5O/c22-18-4-1-15(2-5-18)21-20(16-3-6-19-17(11-16)12-23-24-19)25-26-27(21)13-14-7-9-28-10-8-14/h1-6,11-12,14H,7-10,13H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.05n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185898
PNG
(US9163007, 405)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1Cc1ccccc1
Show InChI InChI=1S/C23H20N6/c24-23-19-14-18(11-12-20(19)25-27-23)22-21(13-16-7-3-1-4-8-16)29(28-26-22)15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H3,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185841
PNG
(US9163007, 102)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367719
PNG
(CHEMBL1202513)
Show SMILES O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5|
Show InChI InChI=1S/C24H31N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,6-9,16-21H,1-2,4-5,10-15H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367735
PNG
(CHEMBL1204093)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:23,28|
Show InChI InChI=1S/C27H33N3O3/c1-33-23-7-3-2-6-22(23)29-16-14-28(15-17-29)12-4-5-13-30-26(31)24-20-10-11-21(25(24)27(30)32)19-9-8-18(19)20/h2-3,6-11,18-21,24-25H,4-5,12-17H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367726
PNG
(CHEMBL1202507)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25|
Show InChI InChI=1S/C26H33N3O3/c1-32-22-7-3-2-6-21(22)28-14-12-27(13-15-28)10-4-5-11-29-25(30)23-17-8-9-18(20-16-19(17)20)24(23)26(29)31/h2-3,6-9,17-20,23-24H,4-5,10-16H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 1612-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
1.80n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL




J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185855
PNG
(US9163007, 189)
Show SMILES Cn1cc(cn1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1
Show InChI InChI=1S/C20H18N8/c1-27-12-15(10-22-27)19-18(14-7-8-17-16(9-14)20(21)25-23-17)24-26-28(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.90n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185841
PNG
(US9163007, 102)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185846
PNG
(US9163007, 151)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185848
PNG
(US9163007, 162)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1C |(1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;9,-2.22,;9.32,-.71,;8.17,.32,;8.49,1.83,;9.96,2.3,;11.1,1.27,;10.78,-.23,;11.93,-1.26,)|
Show InChI InChI=1S/C24H21N5/c1-16-8-6-7-11-20(16)24-23(19-12-13-22-21(14-19)17(2)25-26-22)27-28-29(24)15-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.25n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185863
PNG
(US9163007, 205)
Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144020
PNG
(3-{4-[1-(4-Benzofuran-2-yl-phenylcarbamoyl)-heptyl...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C32H34N2O6/c1-2-3-4-5-10-28(39-26-17-13-23(14-18-26)31(37)33-20-19-30(35)36)32(38)34-25-15-11-22(12-16-25)29-21-24-8-6-7-9-27(24)40-29/h6-9,11-18,21,28H,2-5,10,19-20H2,1H3,(H,33,37)(H,34,38)(H,35,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185849
PNG
(US9163007, 163)
Show SMILES Cc1ccccc1-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)|
Show InChI InChI=1S/C23H20N6/c1-15-7-5-6-10-18(15)22-21(17-11-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H3,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.40n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50367417
PNG
(CHEMBL1743943)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3ccccn3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C24H21F2N3/c25-17-4-7-20(8-5-17)29-23-9-6-18(26)15-21(23)22-16-28(14-11-24(22)29)13-10-19-3-1-2-12-27-19/h1-9,12,15H,10-11,13-14,16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.60n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL




J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 of rat nucleus accumbens labeled with [3H]-spiperone


J Med Chem 30: 1100-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K35SNV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
4n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14768
PNG
((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r|
Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
4n/an/an/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem 16: 3675-86 (2008)


Article DOI: 10.1016/j.bmc.2008.02.013
BindingDB Entry DOI: 10.7270/Q2V988ZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185894
PNG
(US9163007, 401)
Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3cccs3)c2c1
Show InChI InChI=1S/C20H15N5S/c1-2-5-14(6-3-1)12-25-13-18(22-24-25)15-8-9-17-16(11-15)20(23-21-17)19-7-4-10-26-19/h1-11,13H,12H2,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.92n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367419
PNG
(CHEMBL1743958)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3cnccn3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C23H20F2N4/c24-16-1-4-19(5-2-16)29-22-6-3-17(25)13-20(22)21-15-28(12-8-23(21)29)11-7-18-14-26-9-10-27-18/h1-6,9-10,13-14H,7-8,11-12,15H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367733
PNG
(CHEMBL1202527)
Show SMILES O=C1C2C(C3CCC2CCC3)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |TLB:11:3:8.9.10:5.6,THB:1:2:8.9.10:5.6|
Show InChI InChI=1S/C23H33N5O2/c29-21-19-17-5-3-6-18(8-7-17)20(19)22(30)28(21)12-2-1-11-26-13-15-27(16-14-26)23-24-9-4-10-25-23/h4,9-10,17-20H,1-3,5-8,11-16H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144015
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-octyl]...)
Show SMILES CCCCCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C33H36N2O5/c1-2-3-4-5-9-27(21-23-11-13-25(14-12-23)32(38)34-20-19-31(36)37)33(39)35-28-17-15-24(16-18-28)30-22-26-8-6-7-10-29(26)40-30/h6-8,10-18,22,27H,2-5,9,19-21H2,1H3,(H,34,38)(H,35,39)(H,36,37)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144001
PNG
(3-{4-[1-(2',4'-Dichloro-biphenyl-4-ylcarbamoyl)-he...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2N2O5/c1-2-3-4-5-6-27(39-24-14-9-21(10-15-24)29(37)33-18-17-28(35)36)30(38)34-23-12-7-20(8-13-23)25-16-11-22(31)19-26(25)32/h7-16,19,27H,2-6,17-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144002
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(2',4'-dichloro-bi...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C35H34Cl2N2O4/c1-35(2,3)26-12-8-24(9-13-26)30(20-22-4-6-25(7-5-22)33(42)38-19-18-32(40)41)34(43)39-28-15-10-23(11-16-28)29-17-14-27(36)21-31(29)37/h4-17,21,30H,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185870
PNG
(US9163007, 224)
Show SMILES Clc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Show InChI InChI=1S/C26H21ClN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.30n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367736
PNG
(CHEMBL1202530)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C23C4CCC(C4)C12C1CCC3C1 |THB:1:27:23.24:26,1:27:29.30:32,19:21:23.24:26,19:21:29.30:32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-.57,-1.59,;.11,-.39,;-1.23,,;-1.64,1,;-2.57,-.39,;-4.3,-.86,;-4.27,-2.5,;-4.96,-3.71,;-5,-2.02,;-5.66,-.5,)|
Show InChI InChI=1S/C26H35N5O2/c32-22-25-18-4-5-19(16-18)26(25,21-7-6-20(25)17-21)23(33)31(22)11-2-1-10-29-12-14-30(15-13-29)24-27-8-3-9-28-24/h3,8-9,18-21H,1-2,4-7,10-17H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367433
PNG
(CHEMBL1743945)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCCCc3ccncc3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C26H25F2N3/c27-20-4-7-22(8-5-20)31-25-9-6-21(28)17-23(25)24-18-30(16-12-26(24)31)15-2-1-3-19-10-13-29-14-11-19/h4-11,13-14,17H,1-3,12,15-16,18H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may ...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367417
PNG
(CHEMBL1743943)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3ccccn3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C24H21F2N3/c25-17-4-7-20(8-5-17)29-23-9-6-18(26)15-21(23)22-16-28(14-11-24(22)29)13-10-19-3-1-2-12-27-19/h1-9,12,15H,10-11,13-14,16H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185833
PNG
(US9163007, 61)
Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H17N5/c1-3-7-16(8-4-1)14-27-15-21(24-26-27)18-11-12-20-19(13-18)22(25-23-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.70n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185896
PNG
(US9163007, 403)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1CC1CCCCC1
Show InChI InChI=1S/C23H26N6/c24-23-19-14-18(11-12-20(19)25-27-23)22-21(13-16-7-3-1-4-8-16)29(28-26-22)15-17-9-5-2-6-10-17/h2,5-6,9-12,14,16H,1,3-4,7-8,13,15H2,(H3,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.20n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144016
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O5/c1-34(2,3)27-15-9-25(10-16-27)31(41-29-19-13-26(14-20-29)32(39)35-22-21-30(37)38)33(40)36-28-17-11-24(12-18-28)23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020115
PNG
(4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...)
Show SMILES O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 4355 total )  |  Next  |  Last  >>
Jump to: