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Compile Data Set for Download or QSAR

Found 1388 hits with Last Name = 'xia' and Initial = 'm'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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0.00230n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220995
PNG
(CHEMBL77788)
Show SMILES COc1ccc(\C=N\NC(C)=O)cc1OC1CCCC1
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0.0190n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221005
PNG
(CHEMBL75684)
Show SMILES CCC(=O)N\N=C(/C)c1ccc(OC)c(OC2CCCC2)c1
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0.0420n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220998
PNG
(CHEMBL76382)
Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1
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0.0460n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221003
PNG
(CHEMBL432348)
Show SMILES COc1ccc(\C=N\NC(N)=O)cc1OC1CCCC1
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0.0690n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220997
PNG
(CHEMBL78237)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(C)=O
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0.0920n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221006
PNG
(CHEMBL77358)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(N)=O
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0.146n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220999
PNG
(CHEMBL77745)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(\N)S
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0.336n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220996
PNG
(CHEMBL76635)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(N)=O)\c1ccccc1
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1.20n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221004
PNG
(CHEMBL77999)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])\c1ccccc1
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1.60n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221001
PNG
(CHEMBL76257)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1
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2n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220993
PNG
(CHEMBL78238)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1
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2.30n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221007
PNG
(CHEMBL80258)
Show SMILES CCC(=O)N\N=C\c1ccc(OC)c(OC2CCCC2)c1
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2.70n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
VIP peptides


(Homo sapiens (Human))
BDBM85078
PNG
(CAS_150828-75-4 | Ro 25-1392)
Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r|
Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of California, San Francisco

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 629-33 (1997)


BindingDB Entry DOI: 10.7270/Q26T0K51
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221002
PNG
(CHEMBL306320)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](\[#6])=[#7]\[#7]=[#6](/[#7])-[#7]
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3.5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221000
PNG
(CHEMBL431962)
Show SMILES CCC(=O)N\N=C(/c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1
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>5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220994
PNG
(CHEMBL77177)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#7]\[#7]=[#6](/[#7])-[#7])cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
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>5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2


(Homo sapiens (Human))
BDBM85078
PNG
(CAS_150828-75-4 | Ro 25-1392)
Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r|
Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



University of California, San Francisco

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 629-33 (1997)


BindingDB Entry DOI: 10.7270/Q26T0K51
More data for this
Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2


(Homo sapiens (Human))
BDBM85078
PNG
(CAS_150828-75-4 | Ro 25-1392)
Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r|
Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of California, San Francisco

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 629-33 (1997)


BindingDB Entry DOI: 10.7270/Q26T0K51
More data for this
Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2


(Homo sapiens (Human))
BDBM85078
PNG
(CAS_150828-75-4 | Ro 25-1392)
Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r|
Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of California, San Francisco

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 629-33 (1997)


BindingDB Entry DOI: 10.7270/Q26T0K51
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Rattus norvegicus)
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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29n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay


Eur J Med Chem 52: 70-81 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.006
BindingDB Entry DOI: 10.7270/Q26H4JD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Rattus norvegicus)
BDBM50381857
PNG
(CHEMBL2023268)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C18H14FNO2/c19-16-7-3-1-5-14(16)12-20-11-13(9-10-18(21)22)15-6-2-4-8-17(15)20/h1-11H,12H2,(H,21,22)/b10-9+
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33n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay


Eur J Med Chem 52: 70-81 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.006
BindingDB Entry DOI: 10.7270/Q26H4JD5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146577
PNG
(CHEMBL102311 | spirobenzoxazines analogues)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Show InChI InChI=1S/C30H30N2O3/c1-35-27-12-6-4-10-25(27)28(33)31-24-15-13-22(14-16-24)29(34)32-20-19-30(17-7-2-8-18-30)21-23-9-3-5-11-26(23)32/h3-7,9-17H,2,8,18-21H2,1H3,(H,31,33)
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n/an/a 0.200n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377038
PNG
(CHEMBL258205)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H33Cl2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50382932
PNG
(CHEMBL2029422)
Show SMILES O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)|
Show InChI InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22-,23-,28-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CCR2-mediated Erk phosphorylation


ACS Med Chem Lett 2: 913-918 (2011)


Article DOI: 10.1021/ml200199c
BindingDB Entry DOI: 10.7270/Q29024TK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220996
PNG
(CHEMBL76635)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(N)=O)\c1ccccc1
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LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377034
PNG
(CHEMBL256301)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |w:18.19|
Show InChI InChI=1S/C30H36Cl2N4O4S/c1-41(39,40)34-23-4-6-28-24(17-23)25(18-33-28)21-8-12-35(13-9-21)29(19-37)22-10-14-36(15-11-22)30(38)7-3-20-2-5-26(31)27(32)16-20/h2-7,16-18,21-22,29,33-34,37H,8-15,19H2,1H3/b7-3+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221003
PNG
(CHEMBL432348)
Show SMILES COc1ccc(\C=N\NC(N)=O)cc1OC1CCCC1
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LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377039
PNG
(CHEMBL257191)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H33F2N3O2/c30-23-15-20(16-24(31)17-23)5-6-29(36)34-13-9-22(10-14-34)28(19-35)33-11-7-21(8-12-33)26-18-32-27-4-2-1-3-25(26)27/h1-6,15-18,21-22,28,32,35H,7-14,19H2/b6-5+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50020476
PNG
(CHEMBL3290148)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1
Show InChI InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of Bmx (unknown origin) after 1 hr by HTRF assay


J Med Chem 57: 5112-28 (2014)


Article DOI: 10.1021/jm4017762
BindingDB Entry DOI: 10.7270/Q2NK3GKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50020449
PNG
(CHEMBL3290125)
Show SMILES CN(C)CCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
Show InChI InChI=1S/C31H30F3N7O3/c1-19-10-11-24(38-28(43)20-6-4-7-21(14-20)31(32,33)34)16-26(19)29(44)39-25-17-35-30(36-18-25)40-23-9-5-8-22(15-23)37-27(42)12-13-41(2)3/h4-11,14-18H,12-13H2,1-3H3,(H,37,42)(H,38,43)(H,39,44)(H,35,36,40)
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Peking University

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin) after 1 hr by HTRF assay


J Med Chem 57: 5112-28 (2014)


Article DOI: 10.1021/jm4017762
BindingDB Entry DOI: 10.7270/Q2NK3GKX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50331722
PNG
(CHEMBL1290636 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-ph...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:3.2,25.26,28.33,wD:7.8,(24.27,-20.7,;23.02,-19.81,;23.17,-18.27,;21.92,-17.37,;20.46,-17.85,;19.55,-16.6,;20.45,-15.36,;21.91,-15.83,;23.25,-15.06,;24.58,-15.83,;24.58,-17.38,;25.92,-15.06,;27.26,-15.83,;28.59,-15.06,;28.59,-13.52,;29.93,-15.83,;31.25,-15.06,;32.59,-15.83,;32.59,-17.38,;31.25,-18.15,;29.93,-17.38,;31.25,-19.69,;29.93,-20.46,;32.59,-20.46,;31.24,-21.22,;18.01,-16.6,;17.24,-17.94,;15.69,-17.94,;14.93,-16.6,;15.7,-15.27,;17.23,-15.28,;13.39,-16.6,;12.62,-15.26,;11.08,-15.26,;10.31,-16.59,;11.08,-17.93,;12.62,-17.93,)|
Show InChI InChI=1S/C28H34F3N3O3/c1-2-37-25-18-34(23-13-11-20(12-14-23)19-7-4-3-5-8-19)17-24(25)33-26(35)16-32-27(36)21-9-6-10-22(15-21)28(29,30)31/h3-10,15,20,23-25H,2,11-14,16-18H2,1H3,(H,32,36)(H,33,35)/t20-,23+,24-,25-/m0/s1
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Incyte Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counter


Bioorg Med Chem Lett 20: 7473-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50363942
PNG
(CHEMBL1951766)
Show SMILES Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:17.21,7.8,(-10.43,2.36,;-8.89,2.39,;-8.15,3.74,;-6.61,3.78,;-5.81,2.46,;-6.55,1.1,;-8.1,1.07,;-4.27,2.5,;-5.05,3.84,;-3.46,1.18,;-1.93,1.21,;-1.18,2.56,;-1.98,3.88,;-3.53,3.85,;.36,2.59,;1.28,1.37,;2.73,1.87,;2.7,3.41,;1.23,3.86,;4.03,4.2,;5.37,3.45,;5.39,1.91,;6.7,4.23,;8.04,3.48,;9.36,4.27,;9.34,5.81,;10.71,3.51,;10.72,1.97,;12.06,1.22,;13.38,2.01,;13.36,3.55,;12.02,4.3,;14.68,4.35,;16.03,3.6,;14.66,5.89,;16.01,5.13,)|
Show InChI InChI=1S/C27H32F3N3O3/c1-18-5-7-20(8-6-18)26(36)12-9-23(10-13-26)33-14-11-22(17-33)32-24(34)16-31-25(35)19-3-2-4-21(15-19)27(28,29)30/h2-8,15,22-23,36H,9-14,16-17H2,1H3,(H,31,35)(H,32,34)/t22-,23-,26-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins


ACS Med Chem Lett 2: 450-454 (2011)


Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377025
PNG
(CHEMBL403889)
Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:14.15|
Show InChI InChI=1S/C29H33F3N4O2/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)36-11-7-20(8-12-36)27(17-37)35-9-5-19(6-10-35)23-16-34-26-3-2-21(33)15-22(23)26/h1-4,13-16,19-20,27,34,37H,5-12,17,33H2/b4-1+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377026
PNG
(CHEMBL254772)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:18.19|
Show InChI InChI=1S/C30H35F3N4O4S/c1-42(40,41)35-22-3-4-27-23(16-22)24(17-34-27)20-6-10-36(11-7-20)28(18-38)21-8-12-37(13-9-21)29(39)5-2-19-14-25(31)30(33)26(32)15-19/h2-5,14-17,20-21,28,34-35,38H,6-13,18H2,1H3/b5-2+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377027
PNG
(CHEMBL404904)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccc(O)cc12 |w:2.1|
Show InChI InChI=1S/C29H32F3N3O3/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)35-11-7-20(8-12-35)27(17-36)34-9-5-19(6-10-34)23-16-33-26-3-2-21(37)15-22(23)26/h1-4,13-16,19-20,27,33,36-37H,5-12,17H2/b4-1+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50363942
PNG
(CHEMBL1951766)
Show SMILES Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:17.21,7.8,(-10.43,2.36,;-8.89,2.39,;-8.15,3.74,;-6.61,3.78,;-5.81,2.46,;-6.55,1.1,;-8.1,1.07,;-4.27,2.5,;-5.05,3.84,;-3.46,1.18,;-1.93,1.21,;-1.18,2.56,;-1.98,3.88,;-3.53,3.85,;.36,2.59,;1.28,1.37,;2.73,1.87,;2.7,3.41,;1.23,3.86,;4.03,4.2,;5.37,3.45,;5.39,1.91,;6.7,4.23,;8.04,3.48,;9.36,4.27,;9.34,5.81,;10.71,3.51,;10.72,1.97,;12.06,1.22,;13.38,2.01,;13.36,3.55,;12.02,4.3,;14.68,4.35,;16.03,3.6,;14.66,5.89,;16.01,5.13,)|
Show InChI InChI=1S/C27H32F3N3O3/c1-18-5-7-20(8-6-18)26(36)12-9-23(10-13-26)33-14-11-22(17-33)32-24(34)16-31-25(35)19-3-2-4-21(15-19)27(28,29)30/h2-8,15,22-23,36H,9-14,16-17H2,1H3,(H,31,35)(H,32,34)/t22-,23-,26-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC after 30 mins by gamma counter


ACS Med Chem Lett 2: 450-454 (2011)


Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339029
PNG
(5-({4-[(3S)-4-(5-Bromo-2,3-dihydro-1H-inden-1-yl)-...)
Show SMILES C[C@H]1CN(CCN1C1CCc2cc(Br)ccc12)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r|
Show InChI InChI=1S/C27H36BrN5O/c1-18-16-32(13-14-33(18)24-8-5-21-15-22(28)6-7-23(21)24)27(4)9-11-31(12-10-27)26(34)25-19(2)29-17-30-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis


ACS Med Chem Lett 1: 483-487 (2010)


Article DOI: 10.1021/ml1001536
BindingDB Entry DOI: 10.7270/Q2SQ90PC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50145685
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-met...)
Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis


ACS Med Chem Lett 1: 483-487 (2010)


Article DOI: 10.1021/ml1001536
BindingDB Entry DOI: 10.7270/Q2SQ90PC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339030
PNG
(4,6-Dimethyl-5-[(4-methyl-4-{(3S)-3-methyl-4-[5-(t...)
Show SMILES C[C@H]1CN(CCN1C1CCc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r|
Show InChI InChI=1S/C28H36F3N5O/c1-18-16-35(13-14-36(18)24-8-5-21-15-22(28(29,30)31)6-7-23(21)24)27(4)9-11-34(12-10-27)26(37)25-19(2)32-17-33-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis


ACS Med Chem Lett 1: 483-487 (2010)


Article DOI: 10.1021/ml1001536
BindingDB Entry DOI: 10.7270/Q2SQ90PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK)


(Homo sapiens (Human))
BDBM50020476
PNG
(CHEMBL3290148)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1
Show InChI InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)
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n/an/a 1.40n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of Rlk (unknown origin) after 1 hr by HTRF assay


J Med Chem 57: 5112-28 (2014)


Article DOI: 10.1021/jm4017762
BindingDB Entry DOI: 10.7270/Q2NK3GKX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220998
PNG
(CHEMBL76382)
Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1
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n/an/a 1.40n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50331727
PNG
(CHEMBL1289203 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-hy...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc(C)cc1 |r,wU:3.2,25.26,wD:7.8,28.30,(4.62,-48.68,;3.37,-47.78,;3.52,-46.25,;2.27,-45.35,;.81,-45.83,;-.1,-44.58,;.81,-43.34,;2.26,-43.81,;3.6,-43.04,;4.93,-43.81,;4.93,-45.35,;6.26,-43.04,;7.6,-43.81,;8.93,-43.04,;8.93,-41.5,;10.26,-43.81,;11.59,-43.04,;12.93,-43.81,;12.93,-45.36,;11.6,-46.13,;10.26,-45.36,;11.6,-47.67,;10.26,-48.44,;12.93,-48.44,;11.58,-49.2,;-1.64,-44.58,;-2.41,-45.92,;-3.95,-45.92,;-4.72,-44.58,;-5.13,-43.09,;-3.94,-43.25,;-2.41,-43.25,;-6.25,-44.58,;-7.02,-43.24,;-8.56,-43.24,;-9.33,-44.57,;-10.87,-44.57,;-8.56,-45.91,;-7.02,-45.91,)|
Show InChI InChI=1S/C29H36F3N3O4/c1-3-39-25-18-35(23-11-13-28(38,14-12-23)21-9-7-19(2)8-10-21)17-24(25)34-26(36)16-33-27(37)20-5-4-6-22(15-20)29(30,31)32/h4-10,15,23-25,38H,3,11-14,16-18H2,1-2H3,(H,33,37)(H,34,36)/t23-,24-,25-,28-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins


Bioorg Med Chem Lett 20: 7473-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM36523
PNG
(DW12)
Show SMILES Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C17H10N3O3.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2;/h1-7H,(H3,18,19,20,21,22,23);;/q;;+2/p-1
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n/an/a 1.40n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339033
PNG
(5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...)
Show SMILES CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r|
Show InChI InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 assessed as inhibition of receptor internalization


ACS Med Chem Lett 1: 483-487 (2010)


Article DOI: 10.1021/ml1001536
BindingDB Entry DOI: 10.7270/Q2SQ90PC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM30026
PNG
(triazolopyridazine, 18)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2ccc(nn12)-c1ccc(OC)c(O[C@@H]2CCOC2)c1 |r|
Show InChI InChI=1S/C24H24N4O5/c1-29-16-5-8-20(30-2)18(13-16)24-26-25-23-9-6-19(27-28(23)24)15-4-7-21(31-3)22(12-15)33-17-10-11-32-14-17/h4-9,12-13,17H,10-11,14H2,1-3H3/t17-/m1/s1
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n/an/a 1.5n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.057
BindingDB Entry DOI: 10.7270/Q2W37TNT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221004
PNG
(CHEMBL77999)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])\c1ccccc1
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n/an/a 1.60n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220993
PNG
(CHEMBL78238)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1
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n/an/a 1.60n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2355-8 (2003)

More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Canis lupus familiaris (Dog))
BDBM165941
PNG
(US9067935, 3)
Show SMILES FC(F)(F)Oc1ccc(CN(c2nc3ccccn3c2Cl)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H15ClF3N3O3S/c22-19-20(26-18-8-4-5-13-27(18)19)28(32(29,30)17-6-2-1-3-7-17)14-15-9-11-16(12-10-15)31-21(23,24)25/h1-13H,14H2
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US Patent
n/an/a 1.80n/an/an/an/an/a25



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...


US Patent US9067935 (2015)


BindingDB Entry DOI: 10.7270/Q2GH9GQR
More data for this
Ligand-Target Pair
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