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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'kosley' and Initial = 'r'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM100343
PNG
(US8501981, 52)
Show SMILES CC(CCc1ccccc1)Oc1c(ccc2ccccc12)C(=O)NC1(CCCC1)C(O)=O
Show InChI InChI=1S/C27H29NO4/c1-19(13-14-20-9-3-2-4-10-20)32-24-22-12-6-5-11-21(22)15-16-23(24)25(29)28-27(26(30)31)17-7-8-18-27/h2-6,9-12,15-16,19H,7-8,13-14,17-18H2,1H3,(H,28,29)(H,30,31)
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n/an/a 920n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR).

US Patent US8501981 (2013)


BindingDB Entry DOI: 10.7270/Q24Q7SMB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM100345
PNG
(US8501981, 73)
Show SMILES CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccc(F)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H21ClFNO5/c1-23(2,22(28)29)26-21(27)17-9-7-14-5-3-4-6-16(14)20(17)31-12-11-30-15-8-10-19(25)18(24)13-15/h3-10,13H,11-12H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 1.25E+3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR).

US Patent US8501981 (2013)


BindingDB Entry DOI: 10.7270/Q24Q7SMB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM100347
PNG
(US8501981, 166)
Show SMILES CC(C)(NC(=O)c1ccc2ccccc2c1C#CCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H25NO3/c1-26(2,25(29)30)27-24(28)23-18-17-20-14-9-10-15-21(20)22(23)16-8-4-7-13-19-11-5-3-6-12-19/h3,5-6,9-12,14-15,17-18H,4,7,13H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 1.67E+3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR).

US Patent US8501981 (2013)


BindingDB Entry DOI: 10.7270/Q24Q7SMB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM100342
PNG
(US8501981, 46)
Show SMILES CC(C)(NC(=O)c1sc2ccccc2c1OCCOc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21NO5S/c1-21(2,20(24)25)22-19(23)18-17(15-10-6-7-11-16(15)28-18)27-13-12-26-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 1.76E+3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR).

US Patent US8501981 (2013)


BindingDB Entry DOI: 10.7270/Q24Q7SMB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM100344
PNG
(US8501981, 55)
Show SMILES CC(C)CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29NO5/c1-18(2)17-26(3,25(29)30)27-24(28)22-14-13-19-9-7-8-12-21(19)23(22)32-16-15-31-20-10-5-4-6-11-20/h4-14,18H,15-17H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 2.56E+3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR).

US Patent US8501981 (2013)


BindingDB Entry DOI: 10.7270/Q24Q7SMB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM100346
PNG
(US8501981, 105)
Show SMILES OC(=O)C1(CCC1)NC(=O)c1ccc2ccccc2c1OCCOc1ccc(F)cc1
Show InChI InChI=1S/C24H22FNO5/c25-17-7-9-18(10-8-17)30-14-15-31-21-19-5-2-1-4-16(19)6-11-20(21)22(27)26-24(23(28)29)12-3-13-24/h1-2,4-11H,3,12-15H2,(H,26,27)(H,28,29)
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n/an/a 3.23E+3n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
CXCR2 inhibition using calcium fluorescence assay (FLIPR).

US Patent US8501981 (2013)


BindingDB Entry DOI: 10.7270/Q24Q7SMB
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010259
PNG
(Acetic acid 10,10b-dihydroxy-6-{2-[3-(4-hydroxy-ph...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CCc2ccc(O)cc2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C34H48N2O10/c1-8-31(5)19-24(40)34(43)32(6)23(39)15-16-30(3,4)27(32)26(28(44-20(2)37)33(34,7)46-31)45-29(42)36-18-17-35-25(41)14-11-21-9-12-22(38)13-10-21/h8-10,12-13,23,26-28,38-39,43H,1,11,14-19H2,2-7H3,(H,35,41)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010263
PNG
(Acetic acid 10,10b-dihydroxy-6-(2-isothiocyanato-e...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN=C=S)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C26H38N2O8S/c1-8-23(5)13-17(31)26(33)24(6)16(30)9-10-22(3,4)19(24)18(35-21(32)28-12-11-27-14-37)20(34-15(2)29)25(26,7)36-23/h8,16,18-20,30,33H,1,9-13H2,2-7H3,(H,28,32)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/an/a 130n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010265
PNG
(CHEMBL327142 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(39)26(31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010266
PNG
(CHEMBL324659 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(43)30(35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a 400n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010267
PNG
(CHEMBL92719 | [2-(4-Hydroxy-phenyl)-ethyl]-carbami...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(23(34)28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/a 236n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010267
PNG
(CHEMBL92719 | [2-(4-Hydroxy-phenyl)-ethyl]-carbami...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(23(34)28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010268
PNG
((2-Amino-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,10...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H38N2O7/c1-7-20(4)12-14(27)23(30)21(5)13(26)8-9-19(2,3)16(21)15(28)17(22(23,6)32-20)31-18(29)25-11-10-24/h7,13,15-17,26,28,30H,1,8-12,24H2,2-6H3,(H,25,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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n/an/an/a 2.80E+4n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010269
PNG
(CHEMBL327672 | [2-(4-Hydroxy-phenyl)-ethyl]-carbam...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(34)23(28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/a 61n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010264
PNG
((2-Isothiocyanato-ethyl)-carbamic acid 6,10,10b-tr...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN=C=S)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C24H36N2O7S/c1-7-21(4)12-15(28)24(31)22(5)14(27)8-9-20(2,3)17(22)16(29)18(23(24,6)33-21)32-19(30)26-11-10-25-13-34/h7,14,16-18,27,29,31H,1,8-12H2,2-6H3,(H,26,30)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/a 500n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Glucose transporter in human erythrocyte membrane using [125I]-7-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010270
PNG
(Acetic acid 6-[2-(2-bromo-acetylamino)-ethylcarbam...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CBr)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C27H41BrN2O9/c1-8-24(5)13-17(33)27(36)25(6)16(32)9-10-23(3,4)20(25)19(21(37-15(2)31)26(27,7)39-24)38-22(35)30-12-11-29-18(34)14-28/h8,16,19-21,32,36H,1,9-14H2,2-7H3,(H,29,34)(H,30,35)/t16-,19-,20-,21-,24-,25-,26+,27-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010272
PNG
(CHEMBL322952 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(30(43)35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a 94n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010271
PNG
(CHEMBL111425 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(41)28(33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 60n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010273
PNG
(CHEMBL111738 | {7-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C37H56N2O9/c1-7-34(4)23-27(42)37(46)35(5)26(41)19-20-33(2,3)30(35)29(44)31(36(37,6)48-34)47-32(45)39-22-12-10-8-9-11-21-38-28(43)18-15-24-13-16-25(40)17-14-24/h7,13-14,16-17,26,29-31,40-41,44,46H,1,8-12,15,18-23H2,2-6H3,(H,38,43)(H,39,45)/t26-,29-,30-,31-,34-,35-,36+,37-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)		BDBM50467053
PNG
(CHEMBL4290744)
Show SMILES CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r|
Show InChI InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010274
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C25H40N2O8/c1-8-22(5)13-16(30)25(32)23(6)15(29)9-10-21(3,4)18(23)17(34-20(31)27-12-11-26)19(33-14(2)28)24(25,7)35-22/h8,15,17-19,29,32H,1,9-13,26H2,2-7H3,(H,27,31)/t15-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010266
PNG
(CHEMBL324659 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(43)30(35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a 82n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010273
PNG
(CHEMBL111738 | {7-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C37H56N2O9/c1-7-34(4)23-27(42)37(46)35(5)26(41)19-20-33(2,3)30(35)29(44)31(36(37,6)48-34)47-32(45)39-22-12-10-8-9-11-21-38-28(43)18-15-24-13-16-25(40)17-14-24/h7,13-14,16-17,26,29-31,40-41,44,46H,1,8-12,15,18-23H2,2-6H3,(H,38,43)(H,39,45)/t26-,29-,30-,31-,34-,35-,36+,37-/m0/s1
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n/an/an/a 53n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010270
PNG
(Acetic acid 6-[2-(2-bromo-acetylamino)-ethylcarbam...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CBr)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C27H41BrN2O9/c1-8-24(5)13-17(33)27(36)25(6)16(32)9-10-23(3,4)20(25)19(21(37-15(2)31)26(27,7)39-24)38-22(35)30-12-11-29-18(34)14-28/h8,16,19-21,32,36H,1,9-14H2,2-7H3,(H,29,34)(H,30,35)/t16-,19-,20-,21-,24-,25-,26+,27-/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Glucose transporter in human erythrocyte membrane using [125I]-7-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010274
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C25H40N2O8/c1-8-22(5)13-16(30)25(32)23(6)15(29)9-10-21(3,4)18(23)17(34-20(31)27-12-11-26)19(33-14(2)28)24(25,7)35-22/h8,15,17-19,29,32H,1,9-13,26H2,2-7H3,(H,27,31)/t15-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/a 34n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010260
PNG
(CHEMBL107566 | [2-(2-Bromo-acetylamino)-ethyl]-car...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CBr)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C25H39BrN2O8/c1-7-22(4)12-15(30)25(34)23(5)14(29)8-9-21(2,3)18(23)17(32)19(24(25,6)36-22)35-20(33)28-11-10-27-16(31)13-26/h7,14,17-19,29,32,34H,1,8-13H2,2-6H3,(H,27,31)(H,28,33)/t14-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Glucose transporter in human erythrocyte membrane using [125I]-7-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010272
PNG
(CHEMBL322952 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(30(43)35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010265
PNG
(CHEMBL327142 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(39)26(31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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n/an/an/a 13n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010275
PNG
(CHEMBL324463 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(26(39)31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010269
PNG
(CHEMBL327672 | [2-(4-Hydroxy-phenyl)-ethyl]-carbam...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(34)23(28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/a 240n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010275
PNG
(CHEMBL324463 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(26(39)31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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n/an/an/a 174n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010262
PNG
(CHEMBL326703 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(28(41)33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 80n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010268
PNG
((2-Amino-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,10...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H38N2O7/c1-7-20(4)12-14(27)23(30)21(5)13(26)8-9-19(2,3)16(21)15(28)17(22(23,6)32-20)31-18(29)25-11-10-24/h7,13,15-17,26,28,30H,1,8-12,24H2,2-6H3,(H,25,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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n/an/an/a 98n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010261
PNG
((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C |r|
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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n/an/an/a 29n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)		BDBM50467052
PNG
(CHEMBL4279401)
Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50467053
PNG
(CHEMBL4290744)
Show SMILES CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r|
Show InChI InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 159n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)		BDBM50467054
PNG
(CHEMBL4288731)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50467054
PNG
(CHEMBL4288731)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)		BDBM50467055
PNG
(CHEMBL4283963)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)15-3-1-2-14(10-15)13-4-6-16(7-5-13)27-12-17-11-25-9-8-18(26)24-19(25)28-17/h1-10,17H,11-12H2/t17-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50467056
PNG
(CHEMBL4287326)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3cc(C)c(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-11-15(2)21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)		BDBM50467057
PNG
(CHEMBL4295230)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)		BDBM50467058
PNG
(CHEMBL4278070)
Show SMILES CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
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n/an/an/an/a 314n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50467052
PNG
(CHEMBL4279401)
Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50467057
PNG
(CHEMBL4295230)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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n/an/an/an/a 274n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50467058
PNG
(CHEMBL4278070)
Show SMILES CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...

Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010264
PNG
((2-Isothiocyanato-ethyl)-carbamic acid 6,10,10b-tr...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN=C=S)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C24H36N2O7S/c1-7-21(4)12-15(28)24(31)22(5)14(27)8-9-20(2,3)17(22)16(29)18(23(24,6)33-21)32-19(30)26-11-10-25-13-34/h7,14,16-18,27,29,31H,1,8-12H2,2-6H3,(H,26,30)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/a 110n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010262
PNG
(CHEMBL326703 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(28(41)33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010263
PNG
(Acetic acid 10,10b-dihydroxy-6-(2-isothiocyanato-e...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN=C=S)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C26H38N2O8S/c1-8-23(5)13-17(31)26(33)24(6)16(30)9-10-22(3,4)19(24)18(35-21(32)28-12-11-27-14-37)20(34-15(2)29)25(26,7)36-23/h8,16,18-20,30,33H,1,9-13H2,2-7H3,(H,28,32)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/an/a 300n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Glucose transporter in human erythrocyte membrane using [125I]-7-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))		BDBM50010261
PNG
((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C |r|
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type 1


(Bos taurus)		BDBM50010260
PNG
(CHEMBL107566 | [2-(2-Bromo-acetylamino)-ethyl]-car...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CBr)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C25H39BrN2O8/c1-7-22(4)12-15(30)25(34)23(5)14(29)8-9-21(2,3)18(23)17(32)19(24(25,6)36-22)35-20(33)28-11-10-27-16(31)13-26/h7,14,17-19,29,32,34H,1,8-13H2,2-6H3,(H,27,31)(H,28,33)/t14-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.

J Med Chem 34: 3204-12 (1991)


BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
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