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Compile Data Set for Download or QSAR

Found 810 hits with Last Name = 'jiang' and Initial = 'c'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.0860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004813
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
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0.133n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.134n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153088
PNG
(CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153085
PNG
(CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50004813
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
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0.265n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153083
PNG
(CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50400512
PNG
(CHEMBL2203405)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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1.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50016453
PNG
(CHEMBL3265063)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)C1CC1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26?,27?,29+
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2.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016462
PNG
(CHEMBL3265067)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50016462
PNG
(CHEMBL3265067)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153086
PNG
(CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1
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3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016453
PNG
(CHEMBL3265063)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)C1CC1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26?,27?,29+
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4.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219105
PNG
(CHEMBL242644 | N-(3-hydroxy-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H32N4O3/c1-34-26-8-3-2-7-25(26)31-18-16-30(17-19-31)20-23(32)13-15-29-27(33)22-11-9-21(10-12-22)24-6-4-5-14-28-24/h2-12,14,23,32H,13,15-20H2,1H3,(H,29,33)
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6.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50104501
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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11n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Escherichia coli)
BDBM50153084
PNG
(CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...)
Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1
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12n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153087
PNG
(CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O
Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1
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13.7n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016447
PNG
(CHEMBL3265064)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1Cl
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-25(27)24-9-5-6-10-26(24)30)15-13-29(34)18-23(19-29)31-28(33)22-12-11-20-7-3-4-8-21(20)16-22/h3-12,16,23,25,27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t23-,25-,27+,29+/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50016447
PNG
(CHEMBL3265064)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1Cl
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-25(27)24-9-5-6-10-26(24)30)15-13-29(34)18-23(19-29)31-28(33)22-12-11-20-7-3-4-8-21(20)16-22/h3-12,16,23,25,27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t23-,25-,27+,29+/m1/s1
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22n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153080
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H32N4O4/c1-2-3-9-16(14-24(28)15-25)19(26)23-18(12-7-8-13-21)20(27)22-17-10-5-4-6-11-17/h4-6,10-11,15-16,18,28H,2-3,7-9,12-14,21H2,1H3,(H,22,27)(H,23,26)/t16-,18+/m1/s1
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23n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153081
PNG
(CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1
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25n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016444
PNG
(CHEMBL3265065)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1cccc(Cl)c1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-13-32(27-17-26(27)22-8-5-9-24(30)16-22)14-12-29(34)18-25(19-29)31-28(33)23-11-10-20-6-3-4-7-21(20)15-23/h3-11,15-16,25-27,34H,2,12-14,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m1/s1
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28n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153079
PNG
(CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1
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36n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50016444
PNG
(CHEMBL3265065)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1cccc(Cl)c1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-13-32(27-17-26(27)22-8-5-9-24(30)16-22)14-12-29(34)18-25(19-29)31-28(33)23-11-10-20-6-3-4-7-21(20)15-23/h3-11,15-16,25-27,34H,2,12-14,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m1/s1
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38n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016464
PNG
(CHEMBL3265062)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C29H34N2O2/c1-2-15-31(27-18-26(27)22-9-4-3-5-10-22)16-14-29(33)19-25(20-29)30-28(32)24-13-12-21-8-6-7-11-23(21)17-24/h3-13,17,25-27,33H,2,14-16,18-20H2,1H3,(H,30,32)/t25-,26-,27+,29+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50312273
PNG
((1R,5S/1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)pheny...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2F)C(F)(F)F)n1C
Show InChI InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
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46n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153087
PNG
(CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O
Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1
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63n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153082
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic ac...)
Show SMILES CCCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCC)CN(O)C=O
Show InChI InChI=1S/C21H42N4O4/c1-3-5-7-11-15-23-21(28)19(13-9-10-14-22)24-20(27)18(12-8-6-4-2)16-25(29)17-26/h17-19,29H,3-16,22H2,1-2H3,(H,23,28)(H,24,27)/t18-,19+/m1/s1
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74n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153088
PNG
(CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1
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77n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153086
PNG
(CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1
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92n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153085
PNG
(CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1
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96n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016465
PNG
(CHEMBL3265061)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C29H34N2O2/c1-2-15-31(27-18-26(27)22-9-4-3-5-10-22)16-14-29(33)19-25(20-29)30-28(32)24-13-12-21-8-6-7-11-23(21)17-24/h3-13,17,25-27,33H,2,14-16,18-20H2,1H3,(H,30,32)/t25-,26-,27+,29+/m1/s1
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108n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153083
PNG
(CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1
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109n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153079
PNG
(CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1
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258n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM25298
PNG
((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...)
Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
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400n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS


Bioorg Med Chem 16: 3283-90 (2008)


Article DOI: 10.1016/j.bmc.2007.12.010
BindingDB Entry DOI: 10.7270/Q2JD4XPC
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016463
PNG
(CHEMBL3265066)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m1/s1
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457n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016462
PNG
(CHEMBL3265067)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m0/s1
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623n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016453
PNG
(CHEMBL3265063)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)C1CC1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26?,27?,29+
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667n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153084
PNG
(CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...)
Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1
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710n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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746n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016447
PNG
(CHEMBL3265064)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1Cl
Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-25(27)24-9-5-6-10-26(24)30)15-13-29(34)18-23(19-29)31-28(33)22-12-11-20-7-3-4-8-21(20)16-22/h3-12,16,23,25,27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t23-,25-,27+,29+/m1/s1
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923n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219105
PNG
(CHEMBL242644 | N-(3-hydroxy-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H32N4O3/c1-34-26-8-3-2-7-25(26)31-18-16-30(17-19-31)20-23(32)13-15-29-27(33)22-11-9-21(10-12-22)24-6-4-5-14-28-24/h2-12,14,23,32H,13,15-20H2,1H3,(H,29,33)
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1.09E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016467
PNG
(CHEMBL3265059)
Show SMILES CCCN[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C12H17N/c1-2-8-13-12-9-11(12)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+/m1/s1
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1.17E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50016466
PNG
(CHEMBL3265060)
Show SMILES CCCN[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C12H17N/c1-2-8-13-12-9-11(12)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins


J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair
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