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Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'wang' and Initial = 'lj'   
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-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140256
PNG
(US8906911, 65)
Show SMILES CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C27H37F3N4O2/c1-2-17-16-36-9-6-23(17)32-20-10-18-4-3-7-26(18,13-20)25(35)34-15-21-12-22(34)14-33(21)24-11-19(5-8-31-24)27(28,29)30/h5,8,11,17-18,20-23,32H,2-4,6-7,9-10,12-16H2,1H3/t17-,18-,20-,21+,22+,23+,26-/s2
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6 -43.6 28n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140239
PNG
(US8906911, 48)
Show SMILES FC(F)(F)c1ccc(C#N)c(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1
Show InChI InChI=1/C33H37F3N4O/c34-33(35,36)26-9-8-24(19-37)30(16-26)39-20-29-17-28(39)21-40(29)31(41)32-12-4-7-25(32)15-27(18-32)38-13-10-23(11-14-38)22-5-2-1-3-6-22/h1-3,5-6,8-9,16,23,25,27-29H,4,7,10-15,17-18,20-21H2/t25-,27-,28+,29+,32-/s2
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US Patent
8 -43.0 51.8n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140254
PNG
(US8906911, 63)
Show SMILES C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22+,25-/s2
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US Patent
10 -42.4 17.9n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140255
PNG
(US8906911, 64)
Show SMILES C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22-,25-/s2
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12 -42.0 16.5n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140257
PNG
(US8906911, 66)
Show SMILES CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C27H37F3N4O2/c1-2-17-16-36-9-6-23(17)32-20-10-18-4-3-7-26(18,13-20)25(35)34-15-21-12-22(34)14-33(21)24-11-19(5-8-31-24)27(28,29)30/h5,8,11,17-18,20-23,32H,2-4,6-7,9-10,12-16H2,1H3/t17-,18-,20-,21+,22+,23-,26-/s2
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13 -41.8 45.8n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140240
PNG
(US8906911, 49)
Show SMILES FC(F)(F)c1ccnc(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1
Show InChI InChI=1/C31H37F3N4O/c32-31(33,34)24-8-12-35-28(16-24)37-19-27-17-26(37)20-38(27)29(39)30-11-4-7-23(30)15-25(18-30)36-13-9-22(10-14-36)21-5-2-1-3-6-21/h1-3,5-6,8,12,16,22-23,25-27H,4,7,9-11,13-15,17-20H2/t23-,25-,26+,27+,30-/s2
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15 -41.5 37n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140244
PNG
(US8906911, 53)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C#N)C(F)(F)F
Show InChI InChI=1/C29H37F3N4O3/c1-34(24-7-9-39-17-26(24)38-2)21-10-19-4-3-8-28(19,13-21)27(37)36-16-22-12-23(36)15-35(22)25-11-20(29(30,31)32)6-5-18(25)14-33/h5-6,11,19,21-24,26H,3-4,7-10,12-13,15-17H2,1-2H3/t19-,21-,22+,23+,24+,26-,28-/s2
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16 -41.4 47.9n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140237
PNG
(US8906911, 46)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1/C27H35ClF3N3O3/c1-36-24-15-37-8-6-23(24)32-17-9-16-3-2-7-26(16,12-17)25(35)34-14-19-10-20(34)13-33(19)18-4-5-22(28)21(11-18)27(29,30)31/h4-5,11,16-17,19-20,23-24,32H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/s2
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US Patent
17 -41.2 17.6n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140242
PNG
(US8906911, 51)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1/C28H37ClF3N3O3/c1-33(24-7-9-38-16-25(24)37-2)19-10-17-4-3-8-27(17,13-19)26(36)35-15-20-11-21(35)14-34(20)18-5-6-23(29)22(12-18)28(30,31)32/h5-6,12,17,19-21,24-25H,3-4,7-11,13-16H2,1-2H3/t17-,19-,20+,21+,24+,25-,27-/s2
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21 -40.7 43.3n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140197
PNG
(US8906911, 6)
Show SMILES CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(cnn1)C(F)(F)F
Show InChI InChI=1/C25H34F3N5O3/c1-35-21-14-36-6-4-20(21)30-17-7-15-3-2-5-24(15,10-17)23(34)33-13-18-9-19(33)12-32(18)22-8-16(11-29-31-22)25(26,27)28/h8,11,15,17-21,30H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,20-,21-,24-/s2
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28 -40.1 32.8n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140206
PNG
(US8906911, 15)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C27H35F4N3O3/c1-36-24-15-37-8-6-23(24)32-17-9-16-3-2-7-26(16,12-17)25(35)34-14-19-10-20(34)13-33(19)18-4-5-22(28)21(11-18)27(29,30)31/h4-5,11,16-17,19-20,23-24,32H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/s2
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29 -40.0 34.7n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140198
PNG
(US8906911, 7)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C27H37F3N4O3/c1-32(22-6-9-37-16-23(22)36-2)19-10-17-4-3-7-26(17,13-19)25(35)34-15-20-12-21(34)14-33(20)24-11-18(5-8-31-24)27(28,29)30/h5,8,11,17,19-23H,3-4,6-7,9-10,12-16H2,1-2H3/t17-,19-,20+,21+,22+,23-,26-/s2
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30 -39.9 65.7n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140205
PNG
(US8906911, 14)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1/C27H35F4N3O3/c1-36-24-15-37-8-6-22(24)32-18-9-16-3-2-7-26(16,12-18)25(35)34-14-19-11-20(34)13-33(19)23-10-17(27(29,30)31)4-5-21(23)28/h4-5,10,16,18-20,22,24,32H,2-3,6-9,11-15H2,1H3/t16-,18-,19+,20+,22+,24-,26-/s2
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31 -39.8 43n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140219
PNG
(US8906911, 28)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C#N)C(F)(F)F
Show InChI InChI=1/C28H35F3N4O3/c1-37-25-16-38-8-6-23(25)33-20-9-18-3-2-7-27(18,12-20)26(36)35-15-21-11-22(35)14-34(21)24-10-19(28(29,30)31)5-4-17(24)13-32/h4-5,10,18,20-23,25,33H,2-3,6-9,11-12,14-16H2,1H3/t18-,20-,21+,22+,23+,25-,27-/s2
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32 -39.8 19.8n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140247
PNG
(US8906911, 56)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C29H37F3N4O3/c1-34(25-7-9-39-17-26(25)38-2)21-10-19-4-3-8-28(19,13-21)27(37)36-16-22-11-23(36)15-35(22)20-6-5-18(14-33)24(12-20)29(30,31)32/h5-6,12,19,21-23,25-26H,3-4,7-11,13,15-17H2,1-2H3/t19-,21-,22+,23+,25+,26-,28-/s2
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32 -39.8 46n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140192
PNG
(US8906911, 1)
Show SMILES CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-18-9-16-3-2-6-25(16,12-18)24(34)33-14-19-11-20(33)13-32(19)23-10-17(4-7-30-23)26(27,28)29/h4,7,10,16,18-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,18-,19+,20+,21-,22-,25-/s2
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32 -39.8 54.9n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140231
PNG
(US8906911, 40)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C26H35Cl2N3O3/c1-33-24-15-34-8-6-23(24)29-17-9-16-3-2-7-26(16,12-17)25(32)31-14-19-10-20(31)13-30(19)18-4-5-21(27)22(28)11-18/h4-5,11,16-17,19-20,23-24,29H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/s2
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US Patent
38 -39.4 41.5n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140243
PNG
(US8906911, 52)
Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C29H37F6N3O3/c1-36(23-7-9-41-16-25(23)40-2)19-10-17-4-3-8-27(17,13-19)26(39)38-15-20-12-21(38)14-37(20)24-11-18(28(30,31)32)5-6-22(24)29(33,34)35/h5-6,11,17,19-21,23,25H,3-4,7-10,12-16H2,1-2H3/t17-,19-,20+,21+,23+,25-,27-/s2
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49 -38.8 83.9n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140193
PNG
(US8906911, 2)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-18-9-16-3-2-6-25(16,12-18)24(34)33-14-19-11-20(33)13-32(19)23-10-17(4-7-30-23)26(27,28)29/h4,7,10,16,18-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,18-,19+,20+,21+,22-,25-/s2
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60 -38.3 76.7n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140230
PNG
(US8906911, 39)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C28H35F3N4O3/c1-37-25-16-38-8-6-24(25)33-19-9-18-3-2-7-27(18,12-19)26(36)35-15-21-10-22(35)14-34(21)20-5-4-17(13-32)23(11-20)28(29,30)31/h4-5,11,18-19,21-22,24-25,33H,2-3,6-10,12,14-16H2,1H3/t18-,19-,21+,22+,24+,25-,27-/s2
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US Patent
66 -38.1 55.3n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140252
PNG
(US8906911, 61)
Show SMILES C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17+,19+,20-,21-,22-,25+/s2
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69 -38.0 100n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140238
PNG
(US8906911, 47)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C#N
Show InChI InChI=1/C27H35ClN4O3/c1-34-25-16-35-8-6-24(25)30-19-10-18-3-2-7-27(18,12-19)26(33)32-15-21-11-22(32)14-31(21)20-4-5-23(28)17(9-20)13-29/h4-5,9,18-19,21-22,24-25,30H,2-3,6-8,10-12,14-16H2,1H3/t18-,19-,21+,22+,24+,25-,27-/s2
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77 -37.7 49.8n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140241
PNG
(US8906911, 50)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C28H35F6N3O3/c1-39-24-15-40-8-6-22(24)35-18-9-16-3-2-7-26(16,12-18)25(38)37-14-19-11-20(37)13-36(19)23-10-17(27(29,30)31)4-5-21(23)28(32,33)34/h4-5,10,16,18-20,22,24,35H,2-3,6-9,11-15H2,1H3/t16-,18-,19+,20+,22+,24-,26-/s2
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78 -37.7 25.9n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140196
PNG
(US8906911, 5)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(cnn1)C(F)(F)F
Show InChI InChI=1/C25H34F3N5O3/c1-35-21-14-36-6-4-20(21)30-17-7-15-3-2-5-24(15,10-17)23(34)33-13-18-9-19(33)12-32(18)22-8-16(11-29-31-22)25(26,27)28/h8,11,15,17-21,30H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,20+,21-,24-/s2
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104 -37.0 140n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140211
PNG
(US8906911, 20)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(F)c(Cl)c1
Show InChI InChI=1/C26H35ClFN3O3/c1-33-24-15-34-8-6-23(24)29-17-9-16-3-2-7-26(16,12-17)25(32)31-14-19-10-20(31)13-30(19)18-4-5-22(28)21(27)11-18/h4-5,11,16-17,19-20,23-24,29H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/s2
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112 -36.9 182n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140213
PNG
(US8906911, 22)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(n1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O3/c1-35-21-15-36-9-7-20(21)30-17-10-16-4-3-8-25(16,12-17)24(34)33-14-18-11-19(33)13-32(18)23-6-2-5-22(31-23)26(27,28)29/h2,5-6,16-21,30H,3-4,7-15H2,1H3/t16-,17-,18+,19+,20+,21-,25-/s2
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120 -36.7 153n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140207
PNG
(US8906911, 16)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C)C(F)(F)F
Show InChI InChI=1/C28H38F3N3O3/c1-17-5-6-19(28(29,30)31)11-24(17)33-14-22-12-21(33)15-34(22)26(35)27-8-3-4-18(27)10-20(13-27)32-23-7-9-37-16-25(23)36-2/h5-6,11,18,20-23,25,32H,3-4,7-10,12-16H2,1-2H3/t18-,20-,21+,22+,23+,25-,27-/s2
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199 -35.6 106n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140209
PNG
(US8906911, 18)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C27H36F3N3O3/c1-35-24-16-36-9-7-23(24)31-19-10-17-5-3-8-26(17,13-19)25(34)33-15-21-12-22(33)14-32(21)20-6-2-4-18(11-20)27(28,29)30/h2,4,6,11,17,19,21-24,31H,3,5,7-10,12-16H2,1H3/t17-,19-,21+,22+,23+,24-,26-/s2
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207 -35.5 76.4n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140203
PNG
(US8906911, 12)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccc(n1)C(F)(F)F
Show InChI InChI=1/C25H34F3N5O3/c1-35-20-14-36-8-5-19(20)30-16-9-15-3-2-6-24(15,11-16)22(34)32-12-18-10-17(32)13-33(18)23-29-7-4-21(31-23)25(26,27)28/h4,7,15-20,30H,2-3,5-6,8-14H2,1H3/t15-,16-,17+,18+,19+,20-,24-/s2
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261 -34.9 194n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140216
PNG
(US8906911, 25)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1/C27H35F4N3O3/c1-36-24-15-37-6-4-23(24)32-19-8-16-3-2-5-26(16,12-19)25(35)34-14-21-11-22(34)13-33(21)20-9-17(27(29,30)31)7-18(28)10-20/h7,9-10,16,19,21-24,32H,2-6,8,11-15H2,1H3/t16-,19-,21+,22+,23+,24-,26-/s2
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US Patent
271 -34.8 92.2n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140210
PNG
(US8906911, 19)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C)c(c1)C(F)(F)F
Show InChI InChI=1/C28H38F3N3O3/c1-17-5-6-20(12-23(17)28(29,30)31)33-14-22-11-21(33)15-34(22)26(35)27-8-3-4-18(27)10-19(13-27)32-24-7-9-37-16-25(24)36-2/h5-6,12,18-19,21-22,24-25,32H,3-4,7-11,13-16H2,1-2H3/t18-,19-,21+,22+,24+,25-,27-/s2
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306 -34.6 233n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140218
PNG
(US8906911, 27)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(n1)C(F)(F)F
Show InChI InChI=1/C25H34F3N5O3/c1-35-20-14-36-8-5-19(20)30-16-9-15-3-2-6-24(15,11-16)23(34)33-13-17-10-18(33)12-32(17)21-4-7-29-22(31-21)25(26,27)28/h4,7,15-20,30H,2-3,5-6,8-14H2,1H3/t15-,16-,17+,18+,19+,20-,24-/s2
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444 -33.7 391n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140220
PNG
(US8906911, 29)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C27H36F3N3O4/c1-35-24-16-36-9-7-23(24)31-18-10-17-4-3-8-26(17,13-18)25(34)33-15-20-11-21(33)14-32(20)19-5-2-6-22(12-19)37-27(28,29)30/h2,5-6,12,17-18,20-21,23-24,31H,3-4,7-11,13-16H2,1H3/t17-,18-,20+,21+,23+,24-,26-/s2
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473 -33.6 148n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140251
PNG
(US8906911, 60)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C
Show InChI InChI=1/C25H41N3O5/c1-24(2,3)33-23(30)28-14-18-11-19(28)13-27(18)22(29)25-8-5-6-16(25)10-17(12-25)26-20-7-9-32-15-21(20)31-4/h16-21,26H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,25-/s2
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552 -33.2 328n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140204
PNG
(US8906911, 13)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ncn1)C(F)(F)F
Show InChI InChI=1/C25H34F3N5O3/c1-35-20-13-36-6-4-19(20)31-16-7-15-3-2-5-24(15,10-16)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,2-8,10-13H2,1H3/t15-,16-,17+,18+,19+,20-,24-/s2
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593 -33.0 525n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140217
PNG
(US8906911, 26)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-17-9-16-3-2-6-25(16,12-17)24(34)33-14-19-10-20(33)13-32(19)18-4-7-30-23(11-18)26(27,28)29/h4,7,11,16-17,19-22,31H,2-3,5-6,8-10,12-15H2,1H3/t16-,17-,19+,20+,21+,22-,25-/s2
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US Patent
792 -32.4 598n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140221
PNG
(US8906911, 30)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(cs1)C(F)(F)F
Show InChI InChI=1/C24H33F3N4O3S/c1-33-19-12-34-6-4-18(19)28-15-7-14-3-2-5-23(14,9-15)21(32)30-10-17-8-16(30)11-31(17)22-29-20(13-35-22)24(25,26)27/h13-19,28H,2-12H2,1H3/t14-,15-,16+,17+,18+,19-,23-/s2
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US Patent
831 -32.3 95.5n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140227
PNG
(US8906911, 36)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C#N
Show InChI InChI=1/C28H35F3N4O3/c1-37-25-16-38-8-6-23(25)33-19-10-18-3-2-7-27(18,12-19)26(36)35-15-20-11-21(35)14-34(20)24-9-17(13-32)4-5-22(24)28(29,30)31/h4-5,9,18-21,23,25,33H,2-3,6-8,10-12,14-16H2,1H3/t18-,19-,20+,21+,23+,25-,27-/s2
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US Patent
1.06E+3 -31.7 305n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140223
PNG
(US8906911, 32)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1/C26H34ClF3N4O3/c1-36-22-14-37-6-4-21(22)32-17-7-15-3-2-5-25(15,10-17)24(35)34-13-18-9-19(34)12-33(18)23-20(27)8-16(11-31-23)26(28,29)30/h8,11,15,17-19,21-22,32H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,21+,22-,25-/s2
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1.06E+3 -31.7 314n/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7FBV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131686
PNG
(CHEMBL3633135)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CCO)nn2)C(C)C)ccc1OC
Show InChI InChI=1/C34H59N5O6.ClH/c1-23(2)26(16-25-10-11-31(44-8)32(17-25)45-15-9-14-43-7)18-29(35)30(41)19-28(24(3)4)33(42)36-21-34(5,6)22-39-20-27(12-13-40)37-38-39;/h10-11,17,20,23-24,26,28-30,40-41H,9,12-16,18-19,21-22,35H2,1-8H3,(H,36,42);1H/t26-,28-,29-,30-;/s2
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n/an/a 0.700n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131687
PNG
(CHEMBL3633134)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CO)nn2)C(C)C)ccc1OC
Show InChI InChI=1/C33H57N5O6.ClH/c1-22(2)25(14-24-10-11-30(43-8)31(15-24)44-13-9-12-42-7)16-28(34)29(40)17-27(23(3)4)32(41)35-20-33(5,6)21-38-18-26(19-39)36-37-38;/h10-11,15,18,22-23,25,27-29,39-40H,9,12-14,16-17,19-21,34H2,1-8H3,(H,35,41);1H/t25-,27-,28-,29-;/s2
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n/an/a 0.900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131696
PNG
(CHEMBL3633309)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCCCC3)nn2)C(C)C)ccc1OC
Show InChI InChI=1/C38H66N6O5.ClH/c1-27(2)30(19-29-13-14-35(48-8)36(20-29)49-18-12-17-47-7)21-33(39)34(45)22-32(28(3)4)37(46)40-25-38(5,6)26-44-24-31(41-42-44)23-43-15-10-9-11-16-43;/h13-14,20,24,27-28,30,32-34,45H,9-12,15-19,21-23,25-26,39H2,1-8H3,(H,40,46);1H/t30-,32-,33-,34-;/s2
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 1n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of Erk1/2 phosphorylation after 20 hrs by Western blotting analysis


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131685
PNG
(CHEMBL3633136)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C(C)O)C(C)C)ccc1OC
Show InChI InChI=1/C34H59N5O6.ClH/c1-22(2)26(15-25-11-12-31(44-9)32(16-25)45-14-10-13-43-8)17-28(35)30(41)18-27(23(3)4)33(42)36-20-34(6,7)21-39-19-29(24(5)40)37-38-39;/h11-12,16,19,22-24,26-28,30,40-41H,10,13-15,17-18,20-21,35H2,1-9H3,(H,36,42);1H/t24?,26-,27-,28-,30-;/s2
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131695
PNG
(CHEMBL3633310)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCOCC3)nn2)C(C)C)ccc1OC
Show InChI InChI=1/C37H64N6O6.ClH/c1-26(2)29(18-28-10-11-34(47-8)35(19-28)49-15-9-14-46-7)20-32(38)33(44)21-31(27(3)4)36(45)39-24-37(5,6)25-43-23-30(40-41-43)22-42-12-16-48-17-13-42;/h10-11,19,23,26-27,29,31-33,44H,9,12-18,20-22,24-25,38H2,1-8H3,(H,39,45);1H/t29-,31-,32-,33-;/s2
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131690
PNG
(CHEMBL3633133)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)-c2ccccn2)C(C)C)ccc1OC
Show InChI InChI=1/C37H58N6O5.ClH/c1-25(2)28(18-27-13-14-34(47-8)35(19-27)48-17-11-16-46-7)20-30(38)33(44)21-29(26(3)4)36(45)40-23-37(5,6)24-43-22-32(41-42-43)31-12-9-10-15-39-31;/h9-10,12-15,19,22,25-26,28-30,33,44H,11,16-18,20-21,23-24,38H2,1-8H3,(H,40,45);1H/t28-,29-,30-,33-;/s2
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n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50130560
PNG
(CHEMBL3633102)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccncc2)C(C)C)ccc1OC
Show InChI InChI=1/C35H57N3O5.ClH/c1-24(2)28(18-27-10-11-32(42-8)33(19-27)43-17-9-16-41-7)20-30(36)31(39)21-29(25(3)4)34(40)38-23-35(5,6)22-26-12-14-37-15-13-26;/h10-15,19,24-25,28-31,39H,9,16-18,20-23,36H2,1-8H3,(H,38,40);1H/t28-,29-,30-,31-;/s2
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n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50130651
PNG
(CHEMBL3633127)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C2CC2)C(C)C)ccc1OC
Show InChI InChI=1/C35H59N5O5.ClH/c1-23(2)27(16-25-10-13-32(44-8)33(17-25)45-15-9-14-43-7)18-29(36)31(41)19-28(24(3)4)34(42)37-21-35(5,6)22-40-20-30(38-39-40)26-11-12-26;/h10,13,17,20,23-24,26-29,31,41H,9,11-12,14-16,18-19,21-22,36H2,1-8H3,(H,37,42);1H/t27-,28-,29-,31-;/s2
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n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50130636
PNG
(CHEMBL3633114)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CCN2CCOCC2)C(C)C)ccc1OC
Show InChI InChI=1/C35H63N3O6.ClH/c1-25(2)28(20-27-10-11-32(42-8)33(21-27)44-17-9-16-41-7)22-30(36)31(39)23-29(26(3)4)34(40)37-24-35(5,6)12-13-38-14-18-43-19-15-38;/h10-11,21,25-26,28-31,39H,9,12-20,22-24,36H2,1-8H3,(H,37,40);1H/t28-,29-,30-,31-;/s2
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n/an/a 1.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131694
PNG
(CHEMBL3633306)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN(C)C)nn2)C(C)C)ccc1OC
Show InChI InChI=1/C35H62N6O5.ClH/c1-24(2)27(16-26-12-13-32(45-10)33(17-26)46-15-11-14-44-9)18-30(36)31(42)19-29(25(3)4)34(43)37-22-35(5,6)23-41-21-28(38-39-41)20-40(7)8;/h12-13,17,21,24-25,27,29-31,42H,11,14-16,18-20,22-23,36H2,1-10H3,(H,37,43);1H/t27-,29-,30-,31-;/s2
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n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
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