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Compile Data Set for Download or QSAR

Found 473 hits with Last Name = 'islam' and Initial = 'i'   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198694
PNG
(US9221796, 23b)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/s2
PDB

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US Patent
1.40 -54.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198665
PNG
(US9221796, 2b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Show InChI InChI=1/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/s2
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1.40 -54.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198687
PNG
(US9221796, 18b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/s2
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1.5 -54.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198681
PNG
(US9221796, 13b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1/C22H26N2O2/c25-20-8-6-18(7-9-20)19-10-13-23(14-11-19)21-12-15-24(22(21)26)16-17-4-2-1-3-5-17/h1-9,19,21,25H,10-16H2/t21-/s2
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1.60 -54.4n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198685
PNG
(US9221796, 17)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2
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US Patent
1.60 -54.4n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198835
PNG
(US9221796, 116)
Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H23ClF2N2O2/c23-16-4-1-14(2-5-16)12-27-10-8-20(22(27)29)26-9-7-17(19(25)13-26)15-3-6-21(28)18(24)11-15/h1-6,11,17,19-20,28H,7-10,12-13H2/t17-,19+,20+/s2
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2 -53.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198724
PNG
(US9221796, 45, P-4)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Show InChI InChI=1/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21-/s2
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2.5 -53.2n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198834
PNG
(US9221796, 115)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1 |r|
Show InChI InChI=1/C23H26F2N2O2/c1-15-2-4-16(5-3-15)13-27-11-9-21(23(27)29)26-10-8-18(20(25)14-26)17-6-7-22(28)19(24)12-17/h2-7,12,18,20-21,28H,8-11,13-14H2,1H3/t18-,20+,21+/s2
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2.70 -53.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198837
PNG
(US9221796, 117, P-2)
Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Show InChI InChI=1/C23H24F4N2O2/c24-18-11-16(5-6-21(18)30)17-7-9-28(13-19(17)25)20-8-10-29(23(20)31)12-14-1-3-15(4-2-14)22(26)27/h1-6,11,17,19-20,22,30H,7-10,12-13H2/t17-,19+,20+/s2
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2.90 -52.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198692
PNG
(US9221796, 22)
Show SMILES Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3
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2.90 -52.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198663
PNG
(US9221796, 1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2
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3 -52.7n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198722
PNG
(US9221796, 45, P-2)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Show InChI InChI=1/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21+/s2
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3.10 -52.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198732
PNG
(US9221796, 47, P-4)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
Show InChI InChI=1/C23H26F2N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-22(23(27)29)26-10-8-19(21(25)14-26)17-4-6-18(28)7-5-17/h2-7,12,19,21-22,28H,8-11,13-14H2,1H3/t19-,21+,22-/s2
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3.40 -52.4n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198832
PNG
(US9221796, 114, P-1)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Show InChI InChI=1/C23H25F3N2O2/c24-20-14-27(11-9-19(20)16-5-7-18(29)8-6-16)21-10-12-28(23(21)30)13-15-1-3-17(4-2-15)22(25)26/h1-8,19-22,29H,9-14H2/t19-,20+,21+/s2
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3.5 -52.3n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198772
PNG
(BDBM198773 | US9221796, 64)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H24ClFN2O2/c23-17-5-1-15(2-6-17)13-26-12-10-21(22(26)28)25-11-9-19(20(24)14-25)16-3-7-18(27)8-4-16/h1-8,19-21,27H,9-14H2/t19-,20+,21-/s2
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3.60 -52.2n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198731
PNG
(US9221796, 47, P-3)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1F |r|
Show InChI InChI=1/C23H26F2N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-22(23(27)29)26-10-8-19(21(25)14-26)17-4-6-18(28)7-5-17/h2-7,12,19,21-22,28H,8-11,13-14H2,1H3/t19-,21+,22+/s2
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3.80 -52.1n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198789
PNG
(US9221796, 81)
Show SMILES Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H24ClFN2O2/c23-17-5-1-15(2-6-17)13-26-12-10-21(22(26)28)25-11-9-19(20(24)14-25)16-3-7-18(27)8-4-16/h1-8,19-21,27H,9-14H2/t19-,20+,21-/s2
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3.80 -52.1n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198688
PNG
(US9221796, 19)
Show SMILES Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1F
Show InChI InChI=1/C23H27FN2O2/c1-16-2-3-17(14-21(16)24)15-26-13-10-22(23(26)28)25-11-8-19(9-12-25)18-4-6-20(27)7-5-18/h2-7,14,19,22,27H,8-13,15H2,1H3
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3.90 -52.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198679
PNG
(US9221796, 12)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1/C22H26N2O2/c25-20-8-6-18(7-9-20)19-10-13-23(14-11-19)21-12-15-24(22(21)26)16-17-4-2-1-3-5-17/h1-9,19,21,25H,10-16H2
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4 -52.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198728
PNG
(US9221796, 46, P-4)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/s2
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4 -52.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368890
PNG
(CHEMBL1790792)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCCc1scnc1C
Show InChI InChI=1S/C44H68N6O6S3/c1-6-27(4)37(43(55)45-21-20-33-28(5)46-25-59-33)49-42(54)36(26(2)3)40(52)39(51)31(23-29-15-9-7-10-16-29)47-41(53)30-17-12-13-18-34(30)57-22-14-8-11-19-35-38-32(24-58-35)48-44(56)50-38/h12-13,17-18,25-27,29,31-32,35-40,51-52H,6-11,14-16,19-24H2,1-5H3,(H,45,55)(H,47,53)(H,49,54)(H2,48,50,56)/t27-,31+,32?,35+,36-,37+,38?,39-,40-/m1/s1
PDB
MMDB

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4n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against biotinylated human HIV-1 protease


J Med Chem 37: 293-304 (1994)


BindingDB Entry DOI: 10.7270/Q27S7PD1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198726
PNG
(US9221796, 46, P-2)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22-/s2
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4.30 -51.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198668
PNG
(US9221796, 5)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)c(F)c2)C1=O
Show InChI InChI=1/C22H24F2N2O2/c23-19-6-1-15(13-20(19)24)14-26-12-9-21(22(26)28)25-10-7-17(8-11-25)16-2-4-18(27)5-3-16/h1-6,13,17,21,27H,7-12,14H2
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4.40 -51.7n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198829
PNG
(BDBM198830 | US9221796, 112, P-1)
Show SMILES Cc1ccc(CN2CCC(N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22?/s2
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4.40 -51.7n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198805
PNG
(BDBM198821 | US9221796, 95, P-2)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H23ClF2N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-20(21(26)29)27-11-9-19(22(24,25)14-27)16-3-7-18(28)8-4-16/h1-8,19-20,28H,9-14H2/t19?,20-/s2
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4.60 -51.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198695
PNG
(US9221796, 24)
Show SMILES Oc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2
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4.70 -51.5n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198703
PNG
(US9221796, 30)
Show SMILES Oc1ccc(cc1F)C1CCN(CC1)C1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1/C22H25FN2O2/c23-19-14-18(6-7-21(19)26)17-8-11-24(12-9-17)20-10-13-25(22(20)27)15-16-4-2-1-3-5-16/h1-7,14,17,20,26H,8-13,15H2
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Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198670
PNG
(US9221796, 6b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1=O |r|
Show InChI InChI=1/C22H24F2N2O2/c23-19-6-1-15(13-20(19)24)14-26-12-9-21(22(26)28)25-10-7-17(8-11-25)16-2-4-18(27)5-3-16/h1-6,13,17,21,27H,7-12,14H2/t21-/s2
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4.70 -51.5n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198791
PNG
(US9221796, 83)
Show SMILES Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Show InChI InChI=1/C22H23ClF2N2O2/c23-18-6-1-14(11-19(18)24)12-27-10-8-21(22(27)29)26-9-7-17(20(25)13-26)15-2-4-16(28)5-3-15/h1-6,11,17,20-21,28H,7-10,12-13H2/t17-,20+,21-/s2
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5 -51.4n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198697
PNG
(US9221796, 25b)
Show SMILES Oc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2/t21-/s2
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5.30 -51.2n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198796
PNG
(US9221796, 88)
Show SMILES Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1/C23H24F4N2O2/c24-20-14-28(11-9-19(20)16-3-7-18(30)8-4-16)21-10-12-29(22(21)31)13-15-1-5-17(6-2-15)23(25,26)27/h1-8,19-21,30H,9-14H2/t19-,20+,21-/s2
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5.30 -51.2n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198672
PNG
(BDBM198673 | BDBM198674 | BDBM198675 | BDBM198676 ...)
Show SMILES OC1CN(CCC1c1ccc(O)cc1)C1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1/C22H25FN2O3/c23-17-5-1-15(2-6-17)13-25-12-10-20(22(25)28)24-11-9-19(21(27)14-24)16-3-7-18(26)8-4-16/h1-8,19-21,26-27H,9-14H2
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5.70 -51.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198751
PNG
(BDBM198752 | BDBM198827 | US9221796, 53, P-1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1/C23H23F5N2O2/c24-22(25)14-30(11-9-19(22)16-3-7-18(31)8-4-16)20-10-12-29(21(20)32)13-15-1-5-17(6-2-15)23(26,27)28/h1-8,19-20,31H,9-14H2
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5.80 -51.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198780
PNG
(US9221796, 72)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1/C23H24F4N2O2/c24-20-14-28(11-9-19(20)16-3-7-18(30)8-4-16)21-10-12-29(22(21)31)13-15-1-5-17(6-2-15)23(25,26)27/h1-8,19-21,30H,9-14H2/t19-,20+,21+/s2
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6 -50.9n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082670
PNG
(4-(4-Chloro-phenyl)-1-(4,4-diphenyl-butyl)-4-hydro...)
Show SMILES C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(CC1)c1ccc(Cl)cc1 |(4.39,-16.36,;5.59,-14.67,;4.76,-13.8,;4.76,-12.26,;3.43,-11.48,;3.43,-9.94,;2.64,-8.61,;3.41,-7.25,;2.64,-5.9,;1.07,-5.91,;.3,-7.26,;1.09,-8.61,;2.1,-10.69,;2.06,-12.23,;.74,-12.97,;-.6,-12.19,;-.58,-10.65,;.77,-9.89,;6.81,-15.92,;8.35,-15.99,;9.17,-14.69,;10.24,-13.6,;8.45,-13.32,;6.91,-13.28,;10.24,-15.76,;9.85,-17.24,;10.92,-18.3,;12.38,-17.91,;13.45,-19,;12.78,-16.43,;11.71,-15.38,)|
Show InChI InChI=1S/C28H33ClNO/c1-30(21-18-28(31,19-22-30)25-14-16-26(29)17-15-25)20-8-13-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,27,31H,8,13,18-22H2,1H3/q+1
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6n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)


BindingDB Entry DOI: 10.7270/Q2125TCC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198747
PNG
(BDBM198748 | BDBM198749 | BDBM198750 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Show InChI InChI=1/C23H25F3N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-21(22(27)30)28-10-8-19(23(25,26)14-28)17-4-6-18(29)7-5-17/h2-7,12,19,21,29H,8-11,13-14H2,1H3
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6.20 -50.8n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198775
PNG
(US9221796, 67)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Show InChI InChI=1/C22H23ClF2N2O2/c23-18-6-1-14(11-19(18)24)12-27-10-8-21(22(27)29)26-9-7-17(20(25)13-26)15-2-4-16(28)5-3-15/h1-6,11,17,20-21,28H,7-10,12-13H2/t17-,20+,21+/s2
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6.5 -50.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198747
PNG
(BDBM198748 | BDBM198749 | BDBM198750 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Show InChI InChI=1/C23H25F3N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-21(22(27)30)28-10-8-19(23(25,26)14-28)17-4-6-18(29)7-5-17/h2-7,12,19,21,29H,8-11,13-14H2,1H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198770
PNG
(US9221796, 62)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Show InChI InChI=1/C22H22ClF3N2O3/c23-17-11-14(3-6-20(17)31-22(25)26)28-10-8-19(21(28)30)27-9-7-16(18(24)12-27)13-1-4-15(29)5-2-13/h1-6,11,16,18-19,22,29H,7-10,12H2/t16-,18+,19-/s2
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6.70 -50.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198743
PNG
(BDBM198744 | BDBM198745 | BDBM198746 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1
Show InChI InChI=1/C23H26F2N2O2/c1-16-2-4-17(5-3-16)14-26-13-11-21(22(26)29)27-12-10-20(23(24,25)15-27)18-6-8-19(28)9-7-18/h2-9,20-21,28H,10-15H2,1H3
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7.60 -50.2n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198807
PNG
(BDBM198823 | US9221796, 96, P-2)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Show InChI InChI=1/C22H22ClF3N2O2/c23-18-6-1-14(11-19(18)24)12-27-10-8-20(21(27)30)28-9-7-17(22(25,26)13-28)15-2-4-16(29)5-3-15/h1-6,11,17,20,29H,7-10,12-13H2/t17?,20-/s2
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7.70 -50.2n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082715
PNG
(4-(4-Chloro-phenyl)-1-(4-cyano-4,4-diphenyl-butyl)...)
Show SMILES C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(CC1)c1ccc(Cl)cc1 |(5.21,-30.15,;6.41,-28.45,;5.58,-27.59,;5.59,-26.05,;4.24,-25.28,;4.24,-23.74,;5.74,-23.32,;7.21,-22.9,;2.92,-24.5,;2.9,-26.01,;1.55,-26.77,;.22,-25.98,;.24,-24.44,;1.58,-23.7,;3.46,-22.39,;1.9,-22.41,;1.13,-21.07,;1.9,-19.7,;3.46,-19.7,;4.24,-21.04,;7.74,-27.07,;9.28,-27.13,;9.98,-28.48,;11.06,-27.39,;9.18,-29.79,;7.64,-29.72,;11.06,-29.56,;10.66,-31.02,;11.74,-32.1,;13.19,-31.71,;14.27,-32.78,;13.6,-30.24,;12.52,-29.16,)|
Show InChI InChI=1S/C29H32ClN2O/c1-32(21-18-29(33,19-22-32)26-13-15-27(30)16-14-26)20-8-17-28(23-31,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,33H,8,17-22H2,1H3/q+1
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8n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)


BindingDB Entry DOI: 10.7270/Q2125TCC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198783
PNG
(US9221796, 75)
Show SMILES Oc1ccc(cc1)[C@H]1CCN(C[C@@H]1F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1/C22H25FN2O2/c23-20-15-24(12-10-19(20)17-6-8-18(26)9-7-17)21-11-13-25(22(21)27)14-16-4-2-1-3-5-16/h1-9,19-21,26H,10-15H2/t19-,20+,21-/s2
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8 -50.1n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50114974
PNG
(2-Nitro-N-(4-{[(1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|
Show InChI InChI=1S/C25H33N3O4S/c29-28(30)24-7-3-4-8-25(24)33(31,32)27-18-20-11-9-19(10-12-20)16-26-17-21-13-14-22-5-1-2-6-23(22)15-21/h1-8,19-21,26-27H,9-18H2/t19-,20-,21?
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8n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Tested for radioligand binding affinity against membranes from COS-7 cells transiently transfected with Neuropeptide Y receptor type 5


Bioorg Med Chem Lett 12: 1767-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JD4W4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198829
PNG
(BDBM198830 | US9221796, 112, P-1)
Show SMILES Cc1ccc(CN2CCC(N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22?/s2
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8.40 -50.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198753
PNG
(BDBM198754 | BDBM198755 | BDBM198756 | US9221796, ...)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1/C22H23F3N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-20(21(26)29)27-11-9-19(22(24,25)14-27)16-3-7-18(28)8-4-16/h1-8,19-20,28H,9-14H2
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8.5 -49.9n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198766
PNG
(US9221796, 58)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1/C22H25FN2O2/c23-20-15-24(12-10-19(20)17-6-8-18(26)9-7-17)21-11-13-25(22(21)27)14-16-4-2-1-3-5-16/h1-9,19-21,26H,10-15H2/t19-,20+,21+/s2
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8.70 -49.9n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082729
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC(CNC(=O)NC2CCNCC2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H43ClN4O2/c35-30-14-12-29(13-15-30)34(41)19-24-39(25-20-34)23-7-18-33(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-37-32(40)38-31-16-21-36-22-17-31/h1-6,8-15,31,36,41H,7,16-26H2,(H2,37,38,40)
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9n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)


BindingDB Entry DOI: 10.7270/Q2125TCC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198771
PNG
(US9221796, 63)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(C1=O)c1ccc(OC(F)F)c(Cl)c1 |r|
Show InChI InChI=1/C22H22ClF3N2O3/c23-17-11-14(3-6-20(17)31-22(25)26)28-10-8-19(21(28)30)27-9-7-16(18(24)12-27)13-1-4-15(29)5-2-13/h1-6,11,16,18-19,22,29H,7-10,12H2/t16-,18+,19+/s2
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10 -49.5n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198701
PNG
(US9221796, 28b)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC(C3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1/C21H24N2O2/c1-15-2-4-16(5-3-15)12-22-11-10-20(21(22)25)23-13-18(14-23)17-6-8-19(24)9-7-17/h2-9,18,20,24H,10-14H2,1H3/t20-/s2
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10 -49.5n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
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