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Compile Data Set for Download or QSAR

Found 22786 hits with Last Name = 'ge' and Initial = 'w'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50327601
PNG
(6-(3-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)pr...)
Show SMILES Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
Show InChI InChI=1S/C25H26FN3O2/c26-22-6-1-4-18-5-2-7-23(24(18)22)29-13-11-28(12-14-29)10-3-15-31-20-9-8-19-17-27-25(30)21(19)16-20/h1-2,4-9,16H,3,10-15,17H2,(H,27,30)
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 0.0141n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells

Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50327602
PNG
(6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...)
Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C25H27N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-4-11-27-12-14-28(15-13-27)24-8-3-6-19-5-1-2-7-22(19)24/h1-3,5-10,17H,4,11-16,18H2,(H,26,29)
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 0.0152n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells

Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345134
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-5-((4-methylpiper...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r|
Show InChI InChI=1S/C35H42ClN5O6S/c1-37(2)33(42)31-7-6-16-40(31)35(29-21-24(8-15-32(29)47-5)23-39-19-17-38(3)18-20-39)28-22-25(36)9-14-30(28)41(34(35)43)48(44,45)27-12-10-26(46-4)11-13-27/h8-15,21-22,31H,6-7,16-20,23H2,1-5H3/t31-,35+/m0/s1
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 0.0300n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting

Bioorg Med Chem Lett 21: 3828-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.012
BindingDB Entry DOI: 10.7270/Q20P10BC
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345133
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-5-(pyrrolidin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC |r|
Show InChI InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(28-20-23(9-16-31(28)45-4)22-37-17-5-6-18-37)27-21-24(35)10-15-29(27)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34+/m0/s1
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 0.0300n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting

Bioorg Med Chem Lett 21: 3828-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.012
BindingDB Entry DOI: 10.7270/Q20P10BC
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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 0.0340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells

J Med Chem 39: 1039-48 (1996)


Article DOI: 10.1021/jm9505369
BindingDB Entry DOI: 10.7270/Q29G5KWT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50106407
PNG
(1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(C)c(F)c1)C(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C30H39FN2O4/c1-4-6-13-32(14-7-5-2)27(34)19-33-18-24(21-10-11-26-22(16-21)12-15-37-26)28(30(35)36)29(33)23-9-8-20(3)25(31)17-23/h8-11,16-17,24,28-29H,4-7,12-15,18-19H2,1-3H3,(H,35,36)/t24-,28-,29+/m1/s1
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 0.0390n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Endothelin A receptor

J Med Chem 44: 3978-84 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9PR2
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345131
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-4-((4-methylpiper...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCN(C)CC2)cc1OC |r|
Show InChI InChI=1S/C35H42ClN5O6S/c1-37(2)33(42)31-7-6-16-40(31)35(28-14-8-24(21-32(28)47-5)23-39-19-17-38(3)18-20-39)29-22-25(36)9-15-30(29)41(34(35)43)48(44,45)27-12-10-26(46-4)11-13-27/h8-15,21-22,31H,6-7,16-20,23H2,1-5H3/t31-,35-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting

Bioorg Med Chem Lett 21: 3828-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.012
BindingDB Entry DOI: 10.7270/Q20P10BC
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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 0.0400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor

J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50327603
PNG
(6-(3-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)pr...)
Show SMILES Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-7-5-18-3-1-4-24(22(18)15-20)29-12-10-28(11-13-29)9-2-14-31-21-8-6-19-17-27-25(30)23(19)16-21/h1,3-8,15-16H,2,9-14,17H2,(H,27,30)
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 0.0447n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells

Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50098242
PNG
(3-[4-(Amino-hydrazino-methyl)-phenyl]-N-cyclopenty...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)NN)NS(=O)(=O)c1ccc2CCCCCc2c1
Show InChI InChI=1S/C27H39N5O3S/c1-32(23-9-5-6-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-3-2-4-8-22(20)18-24/h11-16,18,23,25-26,30-31H,2-10,17,28-29H2,1H3/t25-,26?/m0/s1
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 0.0450n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against human thrombin

J Med Chem 44: 1043-50 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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 0.0470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
binding affinity against human Endothelin A receptor

J Med Chem 44: 3978-84 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9PR2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50327604
PNG
(6-(3-(4-(chroman-8-yl)piperazin-1-yl)propoxy)isoin...)
Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Show InChI InChI=1S/C24H29N3O3/c28-24-21-16-20(8-7-19(21)17-25-24)29-15-3-9-26-10-12-27(13-11-26)22-6-1-4-18-5-2-14-30-23(18)22/h1,4,6-8,16H,2-3,5,9-15,17H2,(H,25,28)
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 0.0501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay

Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50327605
PNG
(6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...)
Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
Show InChI InChI=1S/C26H28FN3O2/c27-23-7-3-5-19-6-4-8-24(25(19)23)30-14-12-29(13-15-30)11-1-2-16-32-21-10-9-20-18-28-26(31)22(20)17-21/h3-10,17H,1-2,11-16,18H2,(H,28,31)
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 0.0504n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells

Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50327606
PNG
(6-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12
Show InChI InChI=1S/C25H31N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-2-1-11-27-12-14-28(15-13-27)24-8-4-6-19-5-3-7-22(19)24/h4,6,8-10,17H,1-3,5,7,11-16,18H2,(H,26,29)
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 0.0575n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50050976
PNG
(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Show SMILES CCCCN(CCCC)C(=O)CN1CC(C(C1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)
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 0.0690n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells

J Med Chem 39: 1039-48 (1996)


Article DOI: 10.1021/jm9505369
BindingDB Entry DOI: 10.7270/Q29G5KWT
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345130
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-4-(pyrrolidin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC |r|
Show InChI InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(27-15-9-23(20-31(27)45-4)22-37-17-5-6-18-37)28-21-24(35)10-16-29(28)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34-/m0/s1
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 0.0800n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting

Bioorg Med Chem Lett 21: 3828-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.012
BindingDB Entry DOI: 10.7270/Q20P10BC
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202316
PNG
(US9238619, 52)
Show SMILES CN1CC(Cc2ccccc2)(C1)c1ccc(F)c(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C23H27FN4O3S/c1-27-14-22(25-17-27)32(29,30)26-10-11-31-21-12-19(8-9-20(21)24)23(15-28(2)16-23)13-18-6-4-3-5-7-18/h3-9,12,14,17,26H,10-11,13,15-16H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202336
PNG
(US9238619, 61)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1S/C23H28N4O3S/c1-27-16-22(25-18-27)31(28,29)26-12-13-30-21-9-5-8-20(14-21)23(10-11-24-17-23)15-19-6-3-2-4-7-19/h2-9,14,16,18,24,26H,10-13,15,17H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202337
PNG
(US9238619, 62)
Show SMILES CN1CCCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C25H32N4O3S/c1-28-14-7-12-25(19-28,17-21-8-4-3-5-9-21)22-10-6-11-23(16-22)32-15-13-27-33(30,31)24-18-29(2)20-26-24/h3-6,8-11,16,18,20,27H,7,12-15,17,19H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202351
PNG
(US9238619, 70)
Show SMILES CN1CCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C24H30N4O3S/c1-27-13-11-24(18-27,16-20-7-4-3-5-8-20)21-9-6-10-22(15-21)31-14-12-26-32(29,30)23-17-28(2)19-25-23/h3-10,15,17,19,26H,11-14,16,18H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202353
PNG
(US9238619, 72)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CN(CCF)C1
Show InChI InChI=1S/C24H29FN4O3S/c1-28-16-23(26-19-28)33(30,31)27-11-13-32-22-9-5-8-21(14-22)24(17-29(18-24)12-10-25)15-20-6-3-2-4-7-20/h2-9,14,16,19,27H,10-13,15,17-18H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202356
PNG
(US9238619, 73)
Show SMILES COCCN1CC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C25H32N4O4S/c1-28-17-24(26-20-28)34(30,31)27-11-13-33-23-10-6-9-22(15-23)25(16-21-7-4-3-5-8-21)18-29(19-25)12-14-32-2/h3-10,15,17,20,27H,11-14,16,18-19H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202358
PNG
(US9238619, 75)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(CCF)C1
Show InChI InChI=1S/C25H31FN4O3S/c1-29-18-24(27-20-29)34(31,32)28-12-15-33-23-9-5-8-22(16-23)25(10-13-30(19-25)14-11-26)17-21-6-3-2-4-7-21/h2-9,16,18,20,28H,10-15,17,19H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202359
PNG
(US9238619, 76)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(CC(C)(C)C)C1
Show InChI InChI=1S/C28H38N4O3S/c1-27(2,3)20-32-15-13-28(21-32,18-23-9-6-5-7-10-23)24-11-8-12-25(17-24)35-16-14-30-36(33,34)26-19-31(4)22-29-26/h5-12,17,19,22,30H,13-16,18,20-21H2,1-4H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202361
PNG
(US9238619, 78)
Show SMILES CN1CC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C23H28N4O3S/c1-26-15-22(24-18-26)31(28,29)25-11-12-30-21-10-6-9-20(13-21)23(16-27(2)17-23)14-19-7-4-3-5-8-19/h3-10,13,15,18,25H,11-12,14,16-17H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202314
PNG
(US9238619, 50)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC1
Show InChI InChI=1S/C22H26N4O3S/c1-26-15-21(14-24-26)30(27,28)25-10-11-29-20-9-5-8-19(12-20)22(16-23-17-22)13-18-6-3-2-4-7-18/h2-9,12,14-15,23,25H,10-11,13,16-17H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202238
PNG
(US9238619, 3)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cc(ccc1F)C(CN)Cc1ccccc1
Show InChI InChI=1S/C21H25FN4O3S/c1-26-15-19(14-24-26)30(27,28)25-9-10-29-21-12-17(7-8-20(21)22)18(13-23)11-16-5-3-2-4-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202239
PNG
(US9238619, 4)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cc(ccc1F)C(CN)Cc1ccccc1
Show InChI InChI=1S/C21H25FN4O3S/c1-26-14-21(24-15-26)30(27,28)25-9-10-29-20-12-17(7-8-19(20)22)18(13-23)11-16-5-3-2-4-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202240
PNG
(US9238619, 5)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccccc1
Show InChI InChI=1S/C21H26N4O3S/c1-25-15-21(23-16-25)29(26,27)24-10-11-28-20-9-5-8-18(13-20)19(14-22)12-17-6-3-2-4-7-17/h2-9,13,15-16,19,24H,10-12,14,22H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202241
PNG
(US9238619, 6)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccccc1
Show InChI InChI=1S/C21H26N4O3S/c1-25-16-21(15-23-25)29(26,27)24-10-11-28-20-9-5-8-18(13-20)19(14-22)12-17-6-3-2-4-7-17/h2-9,13,15-16,19,24H,10-12,14,22H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202247
PNG
(US9238619, 10)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4O3S/c1-29-15-21(14-27-29)33(30,31)28-8-9-32-20-7-3-5-17(12-20)18(13-26)10-16-4-2-6-19(11-16)22(23,24)25/h2-7,11-12,14-15,18,28H,8-10,13,26H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202249
PNG
(US9238619, 12)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4O3S/c1-29-14-21(27-15-29)33(30,31)28-8-9-32-20-7-3-5-17(12-20)18(13-26)10-16-4-2-6-19(11-16)22(23,24)25/h2-7,11-12,14-15,18,28H,8-10,13,26H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202260
PNG
(US9238619, 18)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C(CN)Cc1ccccc1
Show InChI InChI=1S/C20H24N4O2S/c1-24-15-20(14-22-24)27(25,26)23-13-17-8-5-9-18(11-17)19(12-21)10-16-6-3-2-4-7-16/h2-9,11,14-15,19,23H,10,12-13,21H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202265
PNG
(US9238619, 23)
Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cn(C)cn2)ccc1F
Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)15-19(13-18-7-5-4-6-8-18)21-14-20(9-10-22(21)24)31-12-11-26-32(29,30)23-16-28(3)17-25-23/h4-10,14,16-17,19,26H,11-13,15H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202266
PNG
(US9238619, 24)
Show SMILES CN(C)CC(Cc1ccccc1)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1S/C23H30N4O3S/c1-26(2)17-21(14-19-8-5-4-6-9-19)20-10-7-11-22(15-20)30-13-12-25-31(28,29)23-16-24-27(3)18-23/h4-11,15-16,18,21,25H,12-14,17H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202271
PNG
(US9238619, 29)
Show SMILES CN(C)CC(Cc1cccc(c1)C(F)(F)F)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C24H29F3N4O3S/c1-30(2)15-20(12-18-6-4-8-21(13-18)24(25,26)27)19-7-5-9-22(14-19)34-11-10-29-35(32,33)23-16-31(3)17-28-23/h4-9,13-14,16-17,20,29H,10-12,15H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202272
PNG
(US9238619, 30)
Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cnn(C)c2)ccc1Cl
Show InChI InChI=1S/C23H29ClN4O3S/c1-27(2)16-19(13-18-7-5-4-6-8-18)22-14-20(9-10-23(22)24)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,19,26H,11-13,16H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202274
PNG
(US9238619, 32)
Show SMILES CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)15-20(13-18-7-5-4-6-8-18)19-9-10-21(24)22(14-19)31-12-11-26-32(29,30)23-16-28(3)17-25-23/h4-10,14,16-17,20,26H,11-13,15H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202275
PNG
(US9238619, 33)
Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cnn(C)c2)ccc1F
Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)16-19(13-18-7-5-4-6-8-18)22-14-20(9-10-23(22)24)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,19,26H,11-13,16H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3
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 0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50062331
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)

J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)|
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 0.100n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay

ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50175484
PNG
(3-[2-(4-isoquinolin-8-yl-piperazin-1-yl)-ethyl]-7-...)
Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccncc34)c(=O)c21
Show InChI InChI=1S/C25H28N6OS/c1-28-8-6-19-22(16-28)33-24-23(19)25(32)31(17-27-24)14-11-29-9-12-30(13-10-29)21-4-2-3-18-5-7-26-15-20(18)21/h2-5,7,15,17H,6,8-14,16H2,1H3
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 0.100n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR

Bioorg Med Chem Lett 15: 5567-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.077
BindingDB Entry DOI: 10.7270/Q2CR5SX4
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50098232
PNG
(3-[4-(Amino-hydrazino-methyl)-phenyl]-2-(anthracen...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)NN)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C30H35N5O3S/c1-35(26-8-4-5-9-26)30(36)28(16-20-10-12-21(13-11-20)29(31)33-32)34-39(37,38)27-15-14-24-17-22-6-2-3-7-23(22)18-25(24)19-27/h2-3,6-7,10-15,17-19,26,28-29,33-34H,4-5,8-9,16,31-32H2,1H3/t28-,29?/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against human thrombin

J Med Chem 44: 1043-50 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202334
PNG
(US9238619, 59)
Show SMILES O=S(=O)(CC1CC1)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1S/C23H30N2O3S/c26-29(27,17-20-9-10-20)25-13-14-28-22-8-4-7-21(15-22)23(11-12-24-18-23)16-19-5-2-1-3-6-19/h1-8,15,20,24-25H,9-14,16-18H2
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202348
PNG
(US9238619, 67)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1S/C22H26N4O2S/c1-26-16-21(15-24-26)29(27,28)25-14-19-8-5-9-20(12-19)22(10-11-23-17-22)13-18-6-3-2-4-7-18/h2-9,12,15-16,23,25H,10-11,13-14,17H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202270
PNG
(US9238619, 28)
Show SMILES CN(C)CC(Cc1cccc(c1)C(F)(F)F)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1S/C24H29F3N4O3S/c1-30(2)16-20(12-18-6-4-8-21(13-18)24(25,26)27)19-7-5-9-22(14-19)34-11-10-29-35(32,33)23-15-28-31(3)17-23/h4-9,13-15,17,20,29H,10-12,16H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202273
PNG
(US9238619, 31)
Show SMILES CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1S/C23H29FN4O3S/c1-27(2)16-20(13-18-7-5-4-6-8-18)19-9-10-22(24)23(14-19)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,20,26H,11-13,16H2,1-3H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM202315
PNG
(US9238619, 51)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC1
Show InChI InChI=1S/C22H26N4O3S/c1-26-14-21(24-17-26)30(27,28)25-10-11-29-20-9-5-8-19(12-20)22(15-23-16-22)13-18-6-3-2-4-7-18/h2-9,12,14,17,23,25H,10-11,13,15-16H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
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