BindingDB logo
myBDB logout

16 similar compounds to monomer 50103089

Compile data set for download or QSAR
Wt: 589.7
BDBM50103078
Wt: 644.6
BDBM50103079
Wt: 604.7
BDBM50103080
Wt: 611.6
BDBM50103082
Wt: 603.7
BDBM50103087
Wt: 603.7
BDBM50103088
Wt: 575.7
BDBM50103091
Wt: 575.7
BDBM50110530
Wt: 555.7
BDBM50110533
Wt: 589.7
BDBM50110546
Wt: 619.7
BDBM50110548
Wt: 619.7
BDBM50110549
Wt: 590.7
BDBM50110550
Wt: 610.1
BDBM50110557
Wt: 591.7
BDBM50110560
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50103078,50103079,50103080,50103082,50103087,50103088,50103091,50110530,50110533,50110546,50110548,50110549,50110550,50110557,50110560   
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110557
PNG
(CHEMBL352380 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36ClN3O5S/c1-22-20-35(25-13-15-34(16-14-25)32(37)28-5-3-4-6-29(28)33)17-18-36(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25H,13-18,20-21H2,1-2H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110546
PNG
(CHEMBL165377 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H39N3O5S/c1-23-6-4-5-7-30(23)33(37)34-16-14-27(15-17-34)35-18-19-36(24(2)21-35)25(3)26-8-10-28(11-9-26)42(38,39)29-12-13-31-32(20-29)41-22-40-31/h4-13,20,24-25,27H,14-19,21-22H2,1-3H3/t24-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110550
PNG
((2-Amino-phenyl)-[4-((R)-4-{(S)-1-[4-(benzo[1,3]di...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H38N4O5S/c1-22-20-35(25-13-15-34(16-14-25)32(37)28-5-3-4-6-29(28)33)17-18-36(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25H,13-18,20-21,33H2,1-2H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110530
PNG
(CHEMBL349720 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H37N3O5S/c1-23-21-34(27-14-16-33(17-15-27)32(36)26-6-4-3-5-7-26)18-19-35(23)24(2)25-8-10-28(11-9-25)41(37,38)29-12-13-30-31(20-29)40-22-39-30/h3-13,20,23-24,27H,14-19,21-22H2,1-2H3/t23-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103087
PNG
(CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103087
PNG
(CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110530
PNG
(CHEMBL349720 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H37N3O5S/c1-23-21-34(27-14-16-33(17-15-27)32(36)26-6-4-3-5-7-26)18-19-35(23)24(2)25-8-10-28(11-9-25)41(37,38)29-12-13-30-31(20-29)40-22-39-30/h3-13,20,23-24,27H,14-19,21-22H2,1-2H3/t23-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110560
PNG
(CHEMBL165434 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1O)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H37N3O6S/c1-22-20-34(25-13-15-33(16-14-25)32(37)28-5-3-4-6-29(28)36)17-18-35(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25,36H,13-18,20-21H2,1-2H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103078
PNG
(CHEMBL67563 | [4-(4-{(S)-1-[4-(Benzo[1,3]dioxole-5...)
Show SMILES C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)36-15-13-27(14-16-36)35-19-17-34(18-20-35)25(3)26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(21-29)41-22-40-30/h4-12,21,25,27H,13-20,22H2,1-3H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110533
PNG
(1-[4-(4-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-pheny...)
Show SMILES CCCCC(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C30H41N3O5S/c1-4-5-6-30(34)31-15-13-25(14-16-31)32-17-18-33(22(2)20-32)23(3)24-7-9-26(10-8-24)39(35,36)27-11-12-28-29(19-27)38-21-37-28/h7-12,19,22-23,25H,4-6,13-18,20-21H2,1-3H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110548
PNG
(CHEMBL167838 | [4-((R)-4-{(S)-1-[4-(4-Methoxy-benz...)
Show SMILES COc1c2OCOc2ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C34H41N3O6S/c1-23-7-5-6-8-29(23)34(38)35-17-15-27(16-18-35)36-19-20-37(24(2)21-36)25(3)26-9-11-28(12-10-26)44(39,40)31-14-13-30-32(33(31)41-4)43-22-42-30/h5-14,24-25,27H,15-22H2,1-4H3/t24-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110549
PNG
(CHEMBL167839 | [4-((R)-4-{(S)-1-[4-(7-Methoxy-benz...)
Show SMILES COc1ccc(c2OCOc12)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C34H41N3O6S/c1-23-7-5-6-8-29(23)34(38)35-17-15-27(16-18-35)36-19-20-37(24(2)21-36)25(3)26-9-11-28(12-10-26)44(39,40)31-14-13-30(41-4)32-33(31)43-22-42-32/h5-14,24-25,27H,15-22H2,1-4H3/t24-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103088
PNG
(CHEMBL70010 | [4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxo...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103080
PNG
((2-Amino-6-methyl-phenyl)-[4-((S)-4-{(S)-1-[4-(ben...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H40N4O5S/c1-22-5-4-6-29(34)32(22)33(38)35-15-13-26(14-16-35)36-17-18-37(23(2)20-36)24(3)25-7-9-27(10-8-25)43(39,40)28-11-12-30-31(19-28)42-21-41-30/h4-12,19,23-24,26H,13-18,20-21,34H2,1-3H3/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit [125I]-labeled RANTES binding to C-C chemokine receptor type 5 expressed in membrane preparation of CHO cells


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103091
PNG
((4-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-pi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C32H37N3O5S/c1-23-4-3-5-24(2)31(23)32(36)35-14-12-26(13-15-35)34-18-16-33(17-19-34)21-25-6-8-27(9-7-25)41(37,38)28-10-11-29-30(20-28)40-22-39-29/h3-11,20,26H,12-19,21-22H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103079
PNG
(CHEMBL303503 | [4-((S)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H35Cl2N3O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20H2,1-2H3/t21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103080
PNG
((2-Amino-6-methyl-phenyl)-[4-((S)-4-{(S)-1-[4-(ben...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H40N4O5S/c1-22-5-4-6-29(34)32(22)33(38)35-15-13-26(14-16-35)36-17-18-37(23(2)20-36)24(3)25-7-9-27(10-8-25)43(39,40)28-11-12-30-31(19-28)42-21-41-30/h4-12,19,23-24,26H,13-18,20-21,34H2,1-3H3/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103082
PNG
(CHEMBL67281 | [4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxo...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(F)cccc1F)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H35F2N3O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20H2,1-2H3/t21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103079
PNG
(CHEMBL303503 | [4-((S)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H35Cl2N3O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20H2,1-2H3/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103082
PNG
(CHEMBL67281 | [4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxo...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(F)cccc1F)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H35F2N3O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20H2,1-2H3/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
352n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103078
PNG
(CHEMBL67563 | [4-(4-{(S)-1-[4-(Benzo[1,3]dioxole-5...)
Show SMILES C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)36-15-13-27(14-16-36)35-19-17-34(18-20-35)25(3)26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(21-29)41-22-40-30/h4-12,21,25,27H,13-20,22H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
442n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103088
PNG
(CHEMBL70010 | [4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxo...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
485n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103091
PNG
((4-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-pi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C32H37N3O5S/c1-23-4-3-5-24(2)31(23)32(36)35-14-12-26(13-15-35)34-18-16-33(17-19-34)21-25-6-8-27(9-7-25)41(37,38)28-10-11-29-30(20-28)40-22-39-29/h3-11,20,26H,12-19,21-22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.30E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103087
PNG
(CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit [125I]-labeled RANTES binding to C-C chemokine receptor type 5


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair