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Compile Data Set for Download or QSAR

Found 314 hits with Last Name = 'westphal' and Initial = 'rs'   
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
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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 800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 (unknown origin)

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))		BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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 2.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...

J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148158
PNG
(CHEMBL3764017)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H29Cl2NO5S/c1-28(2)12-9-20-16-25(7-8-26(20)37-28)38(35,36)32(18-27(33)34)29(10-4-11-29)22-6-3-5-19(13-22)21-14-23(30)17-24(31)15-21/h3,5-8,13-17H,4,9-12,18H2,1-2H3,(H,33,34)
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148192
PNG
(CHEMBL3765578)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H31Cl2NO5S/c1-29(2)13-10-21-17-26(8-9-27(21)38-29)39(36,37)33(19-28(34)35)30(11-3-4-12-30)23-7-5-6-20(14-23)22-15-24(31)18-25(32)16-22/h5-9,14-18H,3-4,10-13,19H2,1-2H3,(H,34,35)
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha expressed in African green monkey COS cells using sn-1-stearoyl-2-[14C]-arachidonoyl-glycerol as substrate ...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495542
PNG
(CHEMBL3113554)
Show SMILES CSc1nc2ccc(C)cn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-11-8-9-13-18-16(22-2)14(15(17)19(13)10-11)23(20,21)12-6-4-3-5-7-12/h3-10,17H,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495558
PNG
(CHEMBL3113362)
Show SMILES CCNc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O2S/c1-2-18-16-14(23(21,22)12-8-4-3-5-9-12)15(17)20-11-7-6-10-13(20)19-16/h3-11,17-18H,2H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495537
PNG
(CHEMBL3113361)
Show SMILES CNc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c1-17-15-13(22(20,21)11-7-3-2-4-8-11)14(16)19-10-6-5-9-12(19)18-15/h2-10,16-17H,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148188
PNG
(CHEMBL3763826)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H25Cl2NO5S/c1-26(2)9-8-19-13-23(6-7-24(19)34-26)35(32,33)29(16-25(30)31)15-17-4-3-5-18(10-17)20-11-21(27)14-22(28)12-20/h3-7,10-14H,8-9,15-16H2,1-2H3,(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148193
PNG
(CHEMBL3765716)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H25Cl2NO5S/c1-26(2)10-9-19-13-23(7-8-24(19)34-26)35(32,33)29(16-25(30)31)15-17-3-5-18(6-4-17)20-11-21(27)14-22(28)12-20/h3-8,11-14H,9-10,15-16H2,1-2H3,(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148184
PNG
(CHEMBL3763853)
Show SMILES OC(=O)CN(Cc1cccc(c1)-c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H17Cl2F2NO5S/c23-19-6-2-5-18(21(19)24)15-4-1-3-14(11-15)12-27(13-20(28)29)33(30,31)17-9-7-16(8-10-17)32-22(25)26/h1-11,22H,12-13H2,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495559
PNG
(CHEMBL3113559)
Show SMILES CSc1nc2c(C)cccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-11-7-6-10-19-14(17)13(16(22-2)18-15(11)19)23(20,21)12-8-4-3-5-9-12/h3-10,17H,1-2H3
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n/an/a 3.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50134807
PNG
(3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 6 receptor using [3H]- LSD as radioligand

J Med Chem 46: 4834-7 (2003)


Article DOI: 10.1021/jm034142q
BindingDB Entry DOI: 10.7270/Q25T3JWV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50134807
PNG
(3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148154
PNG
(CHEMBL3763831)
Show SMILES OC(=O)CN(C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl3NO4S/c25-19-5-7-22(8-6-19)33(31,32)28(15-23(29)30)24(9-2-10-24)18-4-1-3-16(11-18)17-12-20(26)14-21(27)13-17/h1,3-8,11-14H,2,9-10,15H2,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449092
PNG
(CHEMBL3126975)
Show SMILES FC(F)(F)c1cc(COCC2(CCC(C2)N2CCCCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H29F6NO/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)17-34-18-24(20-7-3-1-4-8-20)10-9-23(16-24)33-11-5-2-6-12-33/h1,3-4,7-8,13-15,23H,2,5-6,9-12,16-18H2
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n/an/a 4.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148187
PNG
(CHEMBL3764093)
Show SMILES OC(=O)CN(C1(CCC1)c1cccc(c1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H19Cl4NO4S/c25-17-5-7-19(21(27)12-17)15-3-1-4-16(11-15)24(9-2-10-24)29(14-23(30)31)34(32,33)18-6-8-20(26)22(28)13-18/h1,3-8,11-13H,2,9-10,14H2,(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449081
PNG
(CHEMBL3126960)
Show SMILES N[C@H]1CC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r|
Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-29-13-19(7-6-18(28)11-19)15-4-2-1-3-5-15/h1-5,8-10,18H,6-7,11-13,28H2/t18-,19+/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50147618
PNG
(CHEMBL3765022)
Show SMILES OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H22F5NO6S/c27-24(28)37-19-10-12-20(13-11-19)39(35,36)32(16-23(33)34)25(14-3-15-25)18-8-6-17(7-9-18)21-4-1-2-5-22(21)38-26(29,30)31/h1-2,4-13,24H,3,14-16H2,(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148191
PNG
(CHEMBL3763430)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCOC1)c1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H29Cl2NO6S/c1-28(2)10-9-20-15-25(7-8-26(20)38-28)39(35,36)32(17-27(33)34)29(11-12-37-18-29)22-5-3-19(4-6-22)21-13-23(30)16-24(31)14-21/h3-8,13-16H,9-12,17-18H2,1-2H3,(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449097
PNG
(CHEMBL3126970)
Show SMILES CN(C)C1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1
Show InChI InChI=1S/C23H25F6NO/c1-30(2)20-8-9-21(13-20,17-6-4-3-5-7-17)15-31-14-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h3-7,10-12,20H,8-9,13-15H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495557
PNG
(CHEMBL3113555)
Show SMILES CSc1nc2ccc(cn2c(=N)c1S(=O)(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C16H14N4O3S2/c1-24-16-13(25(22,23)11-5-3-2-4-6-11)14(17)20-9-10(15(18)21)7-8-12(20)19-16/h2-9,17H,1H3,(H2,18,21)
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n/an/a 8.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50147612
PNG
(CHEMBL3765158)
Show SMILES OC(=O)CN(C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H21Cl2F2NO5S/c26-19-12-17(13-20(27)14-19)16-3-1-4-18(11-16)25(9-2-10-25)30(15-23(31)32)36(33,34)22-7-5-21(6-8-22)35-24(28)29/h1,3-8,11-14,24H,2,9-10,15H2,(H,31,32)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495550
PNG
(CHEMBL3113350)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H12ClN3O2S2/c1-22-15-13(14(17)19-9-5-4-8-12(19)18-15)23(20,21)11-7-3-2-6-10(11)16/h2-9,17H,1H3
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449078
PNG
(CHEMBL3126963)
Show SMILES N[C@@H]1CC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r|
Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-29-13-19(7-6-18(28)11-19)15-4-2-1-3-5-15/h1-5,8-10,18H,6-7,11-13,28H2/t18-,19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495544
PNG
(CHEMBL3113360)
Show SMILES CCOc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O3S/c1-2-22-16-14(23(20,21)12-8-4-3-5-9-12)15(17)19-11-7-6-10-13(19)18-16/h3-11,17H,2H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495546
PNG
(CHEMBL3113561)
Show SMILES CSc1nc2c(C)cc(Br)cn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H14BrN3O2S2/c1-10-8-11(17)9-20-14(18)13(16(23-2)19-15(10)20)24(21,22)12-6-4-3-5-7-12/h3-9,18H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148184
PNG
(CHEMBL3763853)
Show SMILES OC(=O)CN(Cc1cccc(c1)-c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H17Cl2F2NO5S/c23-19-6-2-5-18(21(19)24)15-4-1-3-14(11-15)12-27(13-20(28)29)33(30,31)17-9-7-16(8-10-17)32-22(25)26/h1-11,22H,12-13H2,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellula...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449093
PNG
(CHEMBL3126974)
Show SMILES FC(F)(F)c1cc(COCC2(CCC(C2)N2CCCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F6NO/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)16-33-17-23(19-6-2-1-3-7-19)9-8-22(15-23)32-10-4-5-11-32/h1-3,6-7,12-14,22H,4-5,8-11,15-17H2
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449089
PNG
(CHEMBL3126964)
Show SMILES CCNC1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |(16.01,-38.55,;16.02,-37.01,;17.36,-36.25,;17.37,-34.71,;16.04,-33.93,;16.05,-32.4,;17.39,-31.64,;18.16,-30.3,;19.7,-30.29,;20.47,-28.96,;22.01,-28.95,;22.77,-30.29,;24.31,-30.28,;25.08,-28.95,;24.3,-27.61,;22.76,-27.62,;25.06,-26.27,;26.6,-26.26,;24.28,-24.94,;25.81,-24.93,;25.08,-31.61,;24.32,-32.95,;26.62,-31.61,;25.85,-32.94,;18.72,-32.41,;18.71,-33.95,;16.61,-30.3,;17.39,-28.96,;16.61,-27.62,;15.06,-27.63,;14.29,-28.98,;15.07,-30.31,)|
Show InChI InChI=1S/C24H27F6NO/c1-2-31-21-8-10-22(11-9-21,18-6-4-3-5-7-18)16-32-15-17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h3-7,12-14,21,31H,2,8-11,15-16H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50147615
PNG
(CHEMBL3764876)
Show SMILES OC(=O)CN(c1cccc(c1)-c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H15Cl2F2NO5S/c22-18-6-2-5-17(20(18)23)13-3-1-4-14(11-13)26(12-19(27)28)32(29,30)16-9-7-15(8-10-16)31-21(24)25/h1-11,21H,12H2,(H,27,28)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellula...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50147615
PNG
(CHEMBL3764876)
Show SMILES OC(=O)CN(c1cccc(c1)-c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H15Cl2F2NO5S/c22-18-6-2-5-17(20(18)23)13-3-1-4-14(11-13)26(12-19(27)28)32(29,30)16-9-7-15(8-10-16)31-21(24)25/h1-11,21H,12H2,(H,27,28)
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n/an/a 14.3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellula...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449090
PNG
(CHEMBL3126977)
Show SMILES CNC1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |(1.58,-37.74,;2.92,-36.98,;2.93,-35.44,;1.61,-34.66,;1.62,-33.13,;2.96,-32.36,;3.73,-31.02,;5.27,-31.02,;6.03,-29.68,;7.57,-29.67,;8.34,-31.01,;9.88,-31.01,;10.64,-29.67,;9.86,-28.33,;8.32,-28.34,;10.62,-26.99,;12.16,-26.98,;9.84,-25.67,;11.38,-25.65,;10.65,-32.34,;9.88,-33.67,;12.19,-32.33,;11.41,-33.66,;4.28,-33.13,;4.27,-34.67,;2.18,-31.03,;2.95,-29.68,;2.18,-28.35,;.63,-28.35,;-.15,-29.7,;.64,-31.03,)|
Show InChI InChI=1S/C23H25F6NO/c1-30-20-7-9-21(10-8-20,17-5-3-2-4-6-17)15-31-14-16-11-18(22(24,25)26)13-19(12-16)23(27,28)29/h2-6,11-13,20,30H,7-10,14-15H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449095
PNG
(CHEMBL3126972)
Show SMILES FC(F)(F)c1cc(COCC2(CCC(C2)NC2CC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H25F6NO/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-32-15-22(17-4-2-1-3-5-17)9-8-21(13-22)31-20-6-7-20/h1-5,10-12,20-21,31H,6-9,13-15H2
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148157
PNG
(CHEMBL3765824)
Show SMILES OC(=O)CN(Cc1cccc(c1)-c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H17Cl2F2NO5S/c23-17-9-16(10-18(24)11-17)15-3-1-2-14(8-15)12-27(13-21(28)29)33(30,31)20-6-4-19(5-7-20)32-22(25)26/h1-11,22H,12-13H2,(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50147613
PNG
(CHEMBL3764778)
Show SMILES OC(=O)CN(Cc1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H18F5NO6S/c24-22(25)34-17-9-11-18(12-10-17)36(32,33)29(14-21(30)31)13-15-5-7-16(8-6-15)19-3-1-2-4-20(19)35-23(26,27)28/h1-12,22H,13-14H2,(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148183
PNG
(CHEMBL3764377)
Show SMILES OC(=O)CN(Cc1cccc(c1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H18F5NO6S/c24-22(25)34-17-8-10-18(11-9-17)36(32,33)29(14-21(30)31)13-15-4-3-5-16(12-15)19-6-1-2-7-20(19)35-23(26,27)28/h1-12,22H,13-14H2,(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495551
PNG
(CHEMBL3113351)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O2S2/c1-23-15-13(14(18)20-7-3-2-4-12(20)19-15)24(21,22)9-5-6-10(16)11(17)8-9/h2-8,18H,1H3
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148155
PNG
(CHEMBL3765573)
Show SMILES C[C@H](N(CC(O)=O)S(=O)(=O)c1ccc(OC(F)F)cc1)c1ccc(cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H19Cl2F2NO5S/c1-14(15-2-4-16(5-3-15)20-11-6-17(24)12-21(20)25)28(13-22(29)30)34(31,32)19-9-7-18(8-10-19)33-23(26)27/h2-12,14,23H,13H2,1H3,(H,29,30)/t14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha (unknown origin)

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449079
PNG
(CHEMBL3126962)
Show SMILES N[C@H]1CC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r|
Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-29-13-19(7-6-18(28)11-19)15-4-2-1-3-5-15/h1-5,8-10,18H,6-7,11-13,28H2/t18-,19-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50449094
PNG
(CHEMBL3126973)
Show SMILES COCCN(C)C1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1
Show InChI InChI=1S/C25H29F6NO2/c1-32(10-11-33-2)22-8-9-23(15-22,19-6-4-3-5-7-19)17-34-16-18-12-20(24(26,27)28)14-21(13-18)25(29,30)31/h3-7,12-14,22H,8-11,15-17H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human NK1 receptor

Bioorg Med Chem Lett 24: 1611-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.036
BindingDB Entry DOI: 10.7270/Q20003KG
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Mus musculus)		BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse N18TG2 cells assessed as inhibition of ionomycin-induced formation of 2-AG incubated for 20 mins by LC-MS analysis

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495552
PNG
(CHEMBL3113359)
Show SMILES COc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O3S/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495561
PNG
(CHEMBL3113349)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S2/c1-22-15-13(14(17)19-9-3-2-4-12(19)18-15)23(20,21)11-7-5-10(16)6-8-11/h2-9,17H,1H3
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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n/an/a 26.3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 6 receptor using [3H]- LSD as radioligand

J Med Chem 46: 4834-7 (2003)


Article DOI: 10.1021/jm034142q
BindingDB Entry DOI: 10.7270/Q25T3JWV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50495562
PNG
(CHEMBL3113365)
Show SMILES CSc1nc2ccc(Cl)cn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12ClN3O2S2/c1-22-15-13(23(20,21)11-5-3-2-4-6-11)14(17)19-9-10(16)7-8-12(19)18-15/h2-9,17H,1H3
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50134810
PNG
(3-Benzenesulfonyl-7-fluoro-2-methylsulfanyl-pyrido...)
Show SMILES CSc1nc2ccc(F)cn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12FN3O2S2/c1-22-15-13(23(20,21)11-5-3-2-4-6-11)14(17)19-9-10(16)7-8-12(19)18-15/h2-9,17H,1H3
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells

Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50148161
PNG
(CHEMBL3765546)
Show SMILES OC(=O)CN(Cc1ccc(cc1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H17Cl2F2NO5S/c23-16-5-10-19(20(24)11-16)15-3-1-14(2-4-15)12-27(13-21(28)29)33(30,31)18-8-6-17(7-9-18)32-22(25)26/h1-11,22H,12-13H2,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M...

Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
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