BindingDB logo
myBDB logout

4 similar compounds to monomer 50104946

Compile data set for download or QSAR
Wt: 518.6
BDBM50104956
Wt: 468.6
BDBM50276623
Wt: 494.6
BDBM50276671
Wt: 494.6
BDBM50276672

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50104956,50276623,50276671,50276672   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at C-C chemokine receptor type 5


J Med Chem 44: 3343-6 (2001)


Article DOI: 10.1021/jm0155401
BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells


Bioorg Med Chem Lett 13: 567-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00918-6
BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2


J Med Chem 44: 3343-6 (2001)


Article DOI: 10.1021/jm0155401
BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic receptor M2


Bioorg Med Chem Lett 13: 567-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00918-6
BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards muscarinic receptor M1


Bioorg Med Chem Lett 13: 567-71 (2003)


Article DOI: 10.1016/s0960-894x(02)00918-6
BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276671
PNG
((4-(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)35-21-28-13-14-29(22-35)36(28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 313n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276672
PNG
((4-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1C2CCC1CN(C2)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)36-28-13-14-29(36)22-35(21-28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276623
PNG
((4-((1-benzhydrylazetidin-3-yl)(methyl)amino)piper...)
Show SMILES CN(C1CN(C1)C(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)c1c(C)ccnc1C
Show InChI InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)33-18-15-26(16-19-33)32(3)27-20-34(21-27)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair