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26 similar compounds to monomer 50154894

Compile data set for download or QSAR
Wt: 507.5
BDBM50154871
Wt: 446.5
BDBM50154874
Wt: 446.4
BDBM50154827
Wt: 489.5
BDBM50154866
Wt: 427.6
BDBM50154849
Wt: 464.5
BDBM50154809
Wt: 449.4
BDBM50154810
Wt: 446.5
BDBM50154876
Wt: 480.5
BDBM50154811
Wt: 479.6
BDBM50154841
Wt: 584.8
BDBM50154819
Wt: 462.8
BDBM50154826
Wt: 504.5
BDBM50154847
Wt: 512.8
BDBM50154825
Wt: 424.5
BDBM50154842
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 81 hits for monomerid = 50154871,50154874,50154827,50154866,50154849,50154809,50154810,50154876,50154811,50154841,50154819,50154826,50154847,50154825,50154842   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by [35S]GTP-gamma-S binding assay in presence of 3...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154871
PNG
(CHEMBL3775946)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H25F4N7S/c1-32-21(18-12-28-7-8-29-18)30-31-22(32)35-11-3-9-33-13-15-6-10-34(19(15)14-33)20-16(23(25,26)27)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3
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4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154874
PNG
(CHEMBL3775631)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C#N)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26N8S/c1-29-22(19-14-25-8-9-26-19)27-28-23(29)32-12-4-10-30-15-18-7-11-31(21(18)16-30)20-6-3-2-5-17(20)13-24/h2-3,5-6,8-9,14,18,21H,4,7,10-12,15-16H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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7.90n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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13n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154866
PNG
(CHEMBL3774534)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(16-7-9-27-28-13-16)29-30-22(31)34-12-2-10-32-14-17-8-11-33(20(17)15-32)19-5-3-18(4-6-19)23(24,25)26/h3-7,9,13,17,20H,2,8,10-12,14-15H2,1H3
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13n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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25n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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63n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154876
PNG
(CHEMBL3775097)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C#N)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26N8S/c1-29-22(20-14-25-8-9-26-20)27-28-23(29)32-12-2-10-30-15-18-7-11-31(21(18)16-30)19-5-3-17(13-24)4-6-19/h3-6,8-9,14,18,21H,2,7,10-12,15-16H2,1H3
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126n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2L receptor expressed in CHO cells assessed as inhibition of dopamine-mediated Ca+2 stimulation pretreated for...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154874
PNG
(CHEMBL3775631)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C#N)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26N8S/c1-29-22(19-14-25-8-9-26-19)27-28-23(29)32-12-4-10-30-15-18-7-11-31(21(18)16-30)20-6-3-2-5-17(20)13-24/h2-3,5-6,8-9,14,18,21H,4,7,10-12,15-16H2,1H3
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200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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251n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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251n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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251n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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251n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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251n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154871
PNG
(CHEMBL3775946)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H25F4N7S/c1-32-21(18-12-28-7-8-29-18)30-31-22(32)35-11-3-9-33-13-15-6-10-34(19(15)14-33)20-16(23(25,26)27)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3
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398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154866
PNG
(CHEMBL3774534)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(16-7-9-27-28-13-16)29-30-22(31)34-12-2-10-32-14-17-8-11-33(20(17)15-32)19-5-3-18(4-6-19)23(24,25)26/h3-7,9,13,17,20H,2,8,10-12,14-15H2,1H3
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631n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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1.02E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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1.45E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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3.98E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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5.01E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154876
PNG
(CHEMBL3775097)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C#N)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26N8S/c1-29-22(20-14-25-8-9-26-20)27-28-23(29)32-12-2-10-30-15-18-7-11-31(21(18)16-30)19-5-3-17(13-24)4-6-19/h3-6,8-9,14,18,21H,2,7,10-12,15-16H2,1H3
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6.31E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50154849
PNG
(CHEMBL3774649)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Show InChI InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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n/an/a>1.70E+4n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50154842
PNG
(CHEMBL3775589)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Show InChI InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154809
PNG
(CHEMBL3775081)
Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)nc(-c2ccccc2)n1CC(O)=O
Show InChI InChI=1S/C25H21FN2O4S/c1-17-22(27-25(28(17)16-24(29)30)18-7-3-2-4-8-18)15-19-9-5-6-10-23(19)33(31,32)21-13-11-20(26)12-14-21/h2-14H,15-16H2,1H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154810
PNG
(CHEMBL3775125)
Show SMILES OC(=O)Cn1c(nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H19N3O5S/c27-21(28)16-25-22(17-9-3-1-4-10-17)24-26(23(25)29)15-18-11-7-8-14-20(18)32(30,31)19-12-5-2-6-13-19/h1-14H,15-16H2,(H,27,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154811
PNG
(CHEMBL3775455)
Show SMILES Cc1c(-c2ccccc2)n(CC(O)=O)c(=O)n1Cc1ccccc1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O5S/c1-17-24(18-7-3-2-4-8-18)28(16-23(29)30)25(31)27(17)15-19-9-5-6-10-22(19)34(32,33)21-13-11-20(26)12-14-21/h2-14H,15-16H2,1H3,(H,29,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154819
PNG
(CHEMBL3775721)
Show SMILES Fc1cc(NC(=O)c2nnn(c2C(F)(F)F)-c2ccc(Cl)c(c2)C(F)(F)F)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C24H12ClF7N6O2/c25-15-3-2-12(10-14(15)23(27,28)29)38-20(24(30,31)32)19(36-37-38)22(39)35-11-1-4-18(16(26)9-11)40-17-6-8-34-21-13(17)5-7-33-21/h1-10H,(H,33,34)(H,35,39)
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n/an/a 18n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154825
PNG
(CHEMBL3775785)
Show SMILES Cc1c(nnn1-c1ccc(Cl)c(c1)C(F)(F)F)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C24H16ClF3N6O2/c1-13-21(32-33-34(13)15-4-7-19(25)18(12-15)24(26,27)28)23(35)31-14-2-5-16(6-3-14)36-20-9-11-30-22-17(20)8-10-29-22/h2-12H,1H3,(H,29,30)(H,31,35)
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n/an/a 43n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154826
PNG
(CHEMBL3774740)
Show SMILES Cc1c(nnn1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C23H16ClFN6O2/c1-13-21(29-30-31(13)15-4-7-19(25)18(24)12-15)23(32)28-14-2-5-16(6-3-14)33-20-9-11-27-22-17(20)8-10-26-22/h2-12H,1H3,(H,26,27)(H,28,32)
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n/an/a 22n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154827
PNG
(CHEMBL3775764)
Show SMILES Cc1c(nnn1-c1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C23H16F2N6O2/c1-13-21(29-30-31(13)15-4-7-18(24)19(25)12-15)23(32)28-14-2-5-16(6-3-14)33-20-9-11-27-22-17(20)8-10-26-22/h2-12H,1H3,(H,26,27)(H,28,32)
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n/an/a 21n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50154841
PNG
(CHEMBL3775598)
Show SMILES CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C25H33N7OS/c1-18(2)33-23-8-5-4-7-21(23)32-13-9-19-16-31(17-22(19)32)12-6-14-34-25-29-28-24(30(25)3)20-15-26-10-11-27-20/h4-5,7-8,10-11,15,18-19,22H,6,9,12-14,16-17H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2C19 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 ...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50154847
PNG
(CHEMBL3775350)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C24H27F3N6OS/c1-30-7-4-15(10-21(30)34)23-28-29-24(31(23)2)35-9-3-6-32-13-16-5-8-33(20(16)14-32)22-18(26)11-17(25)12-19(22)27/h4,7,10-12,16,20H,3,5-6,8-9,13-14H2,1-2H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
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