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Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'colovray' and Initial = 'v'   
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
Oxytocin receptor


(HEK293)
BDBM50326722
PNG
((Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoi...)
Show SMILES CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
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0.650n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50326722
PNG
((Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoi...)
Show SMILES CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
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0.670n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410618
PNG
(CHEMBL2113181)
Show SMILES OCCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN5O6S/c29-20-9-11-21(12-10-20)34(18-26(37)32-33-27-23-4-1-2-5-24(23)31-28(27)38)41(39,40)22-13-6-19(7-14-22)8-15-25(36)30-16-3-17-35/h1-2,4-7,9-14,35H,3,8,15-18H2,(H,30,36)(H,32,37)(H,31,33,38)
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0.900n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410616
PNG
(CHEMBL2113185)
Show SMILES Clc1ccc(cc1)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C28H28ClN5O6S/c29-20-5-7-21(8-6-20)34(19-26(35)31-32-27-24-3-1-2-4-25(24)30-28(27)36)41(37,38)23-11-9-22(10-12-23)40-18-15-33-13-16-39-17-14-33/h1-12H,13-19H2,(H,31,35)(H,30,32,36)
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0.900n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410625
PNG
(CHEMBL2113201)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O5S/c1-32(2)16-5-17-38-21-12-14-22(15-13-21)39(36,37)33(20-10-8-19(28)9-11-20)18-25(34)30-31-26-23-6-3-4-7-24(23)29-27(26)35/h3-4,6-15H,5,16-18H2,1-2H3,(H,30,34)(H,29,31,35)
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1.10n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410634
PNG
(CHEMBL2113189)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)NC(=O)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN5O6S/c1-33(2)16-5-17-40-21-12-14-22(15-13-21)41(38,39)34(20-10-8-19(29)9-11-20)18-25(35)31-32-26-23-6-3-4-7-24(23)27(36)30-28(26)37/h3-4,6-15H,5,16-18H2,1-2H3,(H,31,35)(H,30,36,37)/b32-26-
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1.60n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410622
PNG
(CHEMBL2113203)
Show SMILES CN(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN5O5S/c1-31(2)15-16-37-20-11-13-21(14-12-20)38(35,36)32(19-9-7-18(27)8-10-19)17-24(33)29-30-25-22-5-3-4-6-23(22)28-26(25)34/h3-14H,15-17H2,1-2H3,(H,29,33)(H,28,30,34)
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2.10n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410634
PNG
(CHEMBL2113189)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)NC(=O)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN5O6S/c1-33(2)16-5-17-40-21-12-14-22(15-13-21)41(38,39)34(20-10-8-19(29)9-11-20)18-25(35)31-32-26-23-6-3-4-7-24(23)27(36)30-28(26)37/h3-4,6-15H,5,16-18H2,1-2H3,(H,31,35)(H,30,36,37)/b32-26-
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2.70n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410619
PNG
(CHEMBL2113208)
Show SMILES COCCOCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN4O7S/c1-37-14-15-38-16-17-39-21-10-12-22(13-11-21)40(35,36)32(20-8-6-19(28)7-9-20)18-25(33)30-31-26-23-4-2-3-5-24(23)29-27(26)34/h2-13H,14-18H2,1H3,(H,30,33)(H,29,31,34)
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3n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
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3.80n/an/an/a 19n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410640
PNG
(CHEMBL2113198)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |w:17.17|
Show InChI InChI=1S/C24H21ClN4O5S/c1-2-34-18-11-13-19(14-12-18)35(32,33)29(17-9-7-16(25)8-10-17)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14H,2,15H2,1H3,(H,27,30)(H,26,28,31)
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3.90n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410623
PNG
(CHEMBL2113179)
Show SMILES OCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN4O5S/c26-18-9-11-19(12-10-18)30(36(34,35)20-13-7-17(8-14-20)4-3-15-31)16-23(32)28-29-24-21-5-1-2-6-22(21)27-25(24)33/h1-2,5-14,31H,3-4,15-16H2,(H,28,32)(H,27,29,33)
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4.10n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410625
PNG
(CHEMBL2113201)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O5S/c1-32(2)16-5-17-38-21-12-14-22(15-13-21)39(36,37)33(20-10-8-19(28)9-11-20)18-25(34)30-31-26-23-6-3-4-7-24(23)29-27(26)35/h3-4,6-15H,5,16-18H2,1-2H3,(H,30,34)(H,29,31,35)
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4.60n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21610
PNG
(2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1
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5n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21595
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(34-26-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)
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5.30n/an/an/a 23n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21610
PNG
(2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1
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5.30n/an/an/a 66n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50072753
PNG
((S)-1-[(3S,4R)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN2O5/c31-22-6-4-20(5-7-22)25-11-13-33(15-21(25)17-35-24-8-9-29-30(14-24)38-19-37-29)16-23(34)18-36-28-3-1-2-27-26(28)10-12-32-27/h1-10,12,14,21,23,25,32,34H,11,13,15-19H2/t21-,23-,25-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50072748
PNG
(1-{6-[(3R,4S)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4...)
Show SMILES OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C36H44FN3O5/c37-28-10-8-26(9-11-28)31-15-19-40(22-27(31)23-42-30-12-13-35-36(20-30)45-25-44-35)18-4-2-1-3-16-38-21-29(41)24-43-34-7-5-6-33-32(34)14-17-39-33/h5-14,17,20,27,29,31,38-39,41H,1-4,15-16,18-19,21-25H2/t27-,29?,31-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410621
PNG
(CHEMBL2113177)
Show SMILES Clc1ccc(cc1)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1
Show InChI InChI=1S/C28H29ClN6O5S/c29-20-5-9-22(10-6-20)35(19-26(36)32-33-27-24-3-1-2-4-25(24)31-28(27)37)41(38,39)23-11-7-21(8-12-23)30-13-14-34-15-17-40-18-16-34/h1-12,30H,13-19H2,(H,32,36)(H,31,33,37)
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7n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385619
PNG
(CHEMBL2042237)
Show SMILES Cc1onc(c1CN1C(=O)NC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C23H17ClN4O6/c1-12-15(19(26-34-12)13-5-3-2-4-6-13)10-28-21(32)23(25-22(28)33)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9H,10-11H2,1H3,(H,25,33)(H,29,30)
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410635
PNG
(CHEMBL2113211)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN4O6S/c1-35-14-15-36-19-10-12-20(13-11-19)37(33,34)30(18-8-6-17(26)7-9-18)16-23(31)28-29-24-21-4-2-3-5-22(21)27-25(24)32/h2-13H,14-16H2,1H3,(H,28,31)(H,27,29,32)
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7n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21594
PNG
(2-{5-chloro-1'-[(5-methyl-3-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1onc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(26-34-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)
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7.60n/an/an/a 21n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50072745
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(S)-3-phenyl-3-(4-trif...)
Show SMILES O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H27F3N2O3/c28-27(29,30)20-9-11-22(12-10-20)35-25(19-5-2-1-3-6-19)14-15-31-17-21(33)18-34-26-8-4-7-24-23(26)13-16-32-24/h1-13,16,21,25,31-33H,14-15,17-18H2/t21-,25-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410616
PNG
(CHEMBL2113185)
Show SMILES Clc1ccc(cc1)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C28H28ClN5O6S/c29-20-5-7-21(8-6-20)34(19-26(35)31-32-27-24-3-1-2-4-25(24)30-28(27)36)41(37,38)23-11-9-22(10-12-23)40-18-15-33-13-16-39-17-14-33/h1-12H,13-19H2,(H,31,35)(H,30,32,36)
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8n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410638
PNG
(CHEMBL2113207)
Show SMILES Clc1ccc(cc1)N(CC(=O)NN=C1C(=O)Nc2ccccc12)S(=O)(=O)c1ccccc1 |w:12.12|
Show InChI InChI=1S/C22H17ClN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13H,14H2,(H,25,28)(H,24,26,29)
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8.70n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410630
PNG
(CHEMBL2113209)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |w:18.18|
Show InChI InChI=1S/C25H23ClN4O5S/c1-2-15-35-19-11-13-20(14-12-19)36(33,34)30(18-9-7-17(26)8-10-18)16-23(31)28-29-24-21-5-3-4-6-22(21)27-25(24)32/h3-14H,2,15-16H2,1H3,(H,28,31)(H,27,29,32)
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10n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21579
PNG
(2-{5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)
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10n/an/an/a 48n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21596
PNG
(2-{5-chloro-1'-[(4-methoxy-3,5-dimethylpyridin-2-y...)
Show SMILES COc1c(C)cnc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)c1C
Show InChI InChI=1S/C22H20ClN3O6/c1-11-8-24-15(12(2)19(11)32-3)9-26-17(27)7-22(21(26)31)14-6-13(23)4-5-16(14)25(20(22)30)10-18(28)29/h4-6,8H,7,9-10H2,1-3H3,(H,28,29)
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12n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410619
PNG
(CHEMBL2113208)
Show SMILES COCCOCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN4O7S/c1-37-14-15-38-16-17-39-21-10-12-22(13-11-21)40(35,36)32(20-8-6-19(28)7-9-20)18-25(33)30-31-26-23-4-2-3-5-24(23)29-27(26)34/h2-13H,14-18H2,1H3,(H,30,33)(H,29,31,34)
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12n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21611
PNG
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21611
PNG
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178153
PNG
(4-ethoxy-N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-oxo-1...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)NC2C=CCC=C12)c1ccc(C)cc1 |w:17.17,c:24,t:27|
Show InChI InChI=1S/C25H26N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h5-15,22H,3-4,16H2,1-2H3,(H,26,31)(H,27,30)
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14n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178186
PNG
(CHEMBL372122 | N-(4-chlorophenyl)-4-ethoxy-N-{2-[(...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc1ccccc1O)c1ccc(Cl)cc1 |w:17.17|
Show InChI InChI=1S/C23H22ClN3O5S/c1-2-32-20-11-13-21(14-12-20)33(30,31)27(19-9-7-18(24)8-10-19)16-23(29)26-25-15-17-5-3-4-6-22(17)28/h3-15,28H,2,16H2,1H3,(H,26,29)
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15n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410622
PNG
(CHEMBL2113203)
Show SMILES CN(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN5O5S/c1-31(2)15-16-37-20-11-13-21(14-12-20)38(35,36)32(19-9-7-18(27)8-10-19)17-24(33)29-30-25-22-5-3-4-6-23(22)28-26(25)34/h3-14H,15-17H2,1-2H3,(H,29,33)(H,28,30,34)
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15n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385620
PNG
(CHEMBL2042238)
Show SMILES OC(=O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)/t19-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385626
PNG
(CHEMBL2042378)
Show SMILES CN1C(=O)N(Cc2csc(n2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H17ClN4O5S/c1-26-22(33)28(10-15-12-34-19(25-15)13-5-3-2-4-6-13)21(32)23(26)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9,12H,10-11H2,1H3,(H,29,30)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50072743
PNG
((R)-1-[(3S,4R)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-...)
Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN2O5/c31-22-6-4-20(5-7-22)25-11-13-33(15-21(25)17-35-24-8-9-29-30(14-24)38-19-37-29)16-23(34)18-36-28-3-1-2-27-26(28)10-12-32-27/h1-10,12,14,21,23,25,32,34H,11,13,15-19H2/t21-,23+,25-/m0/s1
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16n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410637
PNG
(CHEMBL2113210)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |w:19.19|
Show InChI InChI=1S/C26H25ClN4O5S/c1-2-3-16-36-20-12-14-21(15-13-20)37(34,35)31(19-10-8-18(27)9-11-19)17-24(32)29-30-25-22-6-4-5-7-23(22)28-26(25)33/h4-15H,2-3,16-17H2,1H3,(H,29,32)(H,28,30,33)
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18n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178209
PNG
(CHEMBL371223 | N-(4-chlorophenyl)-3,4-dimethoxy-N-...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccc(Cl)cc1 |w:17.17|
Show InChI InChI=1S/C24H21ClN4O6S/c1-34-20-12-11-17(13-21(20)35-2)36(32,33)29(16-9-7-15(25)8-10-16)14-22(30)27-28-23-18-5-3-4-6-19(18)26-24(23)31/h3-13,26,31H,14H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50072752
PNG
(1-(1H-Indol-4-yloxy)-3-[3-phenyl-3-(4-trifluoromet...)
Show SMILES OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H27F3N2O3/c28-27(29,30)20-9-11-22(12-10-20)35-25(19-5-2-1-3-6-19)14-15-31-17-21(33)18-34-26-8-4-7-24-23(26)13-16-32-24/h1-13,16,21,25,31-33H,14-15,17-18H2
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19n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21581
PNG
(2-{5-chloro-1'-[(3-chloro-5-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-2-15-14(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-3-12(22)5-13(23)4-10/h1-6H,7-9H2,(H,27,28)
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20n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410624
PNG
(CHEMBL2113215)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(C)cc1 |w:16.16|
Show InChI InChI=1S/C24H22N4O5S/c1-16-7-9-17(10-8-16)28(34(31,32)19-13-11-18(33-2)12-14-19)15-22(29)26-27-23-20-5-3-4-6-21(20)25-24(23)30/h3-14H,15H2,1-2H3,(H,26,29)(H,25,27,30)
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20n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410628
PNG
(CHEMBL2113216)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(C)cc1 |w:18.18|
Show InChI InChI=1S/C26H26N4O5S/c1-3-16-35-20-12-14-21(15-13-20)36(33,34)30(19-10-8-18(2)9-11-19)17-24(31)28-29-25-22-6-4-5-7-23(22)27-26(25)32/h4-15H,3,16-17H2,1-2H3,(H,28,31)(H,27,29,32)
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21n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21575
PNG
(2-{5-chloro-1'-[(2,5-difluorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-1-4-15-13(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-5-12(22)2-3-14(10)23/h1-6H,7-9H2,(H,27,28)
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21n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21603
PNG
(2-[(3R)-5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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22n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21603
PNG
(2-[(3R)-5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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23n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21605
PNG
(2-[(3R)-5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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23n/an/an/a 107n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21585
PNG
(2-(5-chloro-1'-{[2-(3-chlorophenyl)-1,3-thiazol-4-...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H15Cl2N3O5S/c24-13-3-1-2-12(6-13)20-26-15(11-34-20)9-28-18(29)8-23(22(28)33)16-7-14(25)4-5-17(16)27(21(23)32)10-19(30)31/h1-7,11H,8-10H2,(H,30,31)
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24n/an/an/a 48n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50178153
PNG
(4-ethoxy-N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-oxo-1...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)NC2C=CCC=C12)c1ccc(C)cc1 |w:17.17,c:24,t:27|
Show InChI InChI=1S/C25H26N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h5-15,22H,3-4,16H2,1-2H3,(H,26,31)(H,27,30)
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25n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
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