BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'agostino' 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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123070
PNG
(US8742115, 9)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCCC1
Show InChI InChI=1S/C29H36ClN5O3/c1-19-15-21(5-6-24(19)30)18-33-13-9-23(10-14-33)35-25(7-8-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-3-4-12-34/h5-6,15-17,23,25H,3-4,7-14,18H2,1-2H3,(H,31,32,37)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.900n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123096
PNG
(US8742115, 36)
Show SMILES CCN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C28H36ClN5O3/c1-5-32(4)28(37)21-15-19(3)30-25(16-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-20-6-7-23(29)18(2)14-20/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.70n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123092
PNG
(US8742115, 32)
Show SMILES CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)nc(c1)C1CC1
Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-19(4-7-23(18)30)17-34-12-10-22(11-13-34)35-25(8-9-27(35)36)28(37)32-26-16-21(29(38)33(2)3)15-24(31-26)20-5-6-20/h4,7,14-16,20,22,25H,5-6,8-13,17H2,1-3H3,(H,31,32,37)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

2.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123082
PNG
(US8742115, 22)
Show SMILES CC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

2.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123072
PNG
(US8742115, 11)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

3.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123076
PNG
(US8742115, 15)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H36ClN5O3/c1-18-13-21(5-6-24(18)30)17-34-11-9-23(10-12-34)35-25(7-8-27(35)36)29(38)33-26-15-22(14-19(2)32-26)28(37)31-16-20-3-4-20/h5-6,13-15,20,23,25H,3-4,7-12,16-17H2,1-2H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

3.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123080
PNG
(US8742115, 19)
Show SMILES CCC(C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C29H38ClN5O3/c1-5-19(3)32-28(37)22-15-20(4)31-26(16-22)33-29(38)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)18(2)14-21/h6-7,14-16,19,23,25H,5,8-13,17H2,1-4H3,(H,32,37)(H,31,33,38)/t19?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123089
PNG
(US8742115, 29)
Show SMILES CC(C)c1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)24-15-21(29(38)33(4)5)16-26(31-24)32-28(37)25-8-9-27(36)35(25)22-10-12-34(13-11-22)17-20-6-7-23(30)19(3)14-20/h6-7,14-16,18,22,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123083
PNG
(US8742115, 23)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NC1CCC1
Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123078
PNG
(US8742115, 17)
Show SMILES CC(C)CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123079
PNG
(US8742115, 18)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F
Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.60n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123073
PNG
(US8742115, 12)
Show SMILES Cc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(ccn2)C(=O)N2CCCC2)ccc1Cl
Show InChI InChI=1S/C28H34ClN5O3/c1-19-16-20(4-5-23(19)29)18-32-14-9-22(10-15-32)34-24(6-7-26(34)35)27(36)31-25-17-21(8-11-30-25)28(37)33-12-2-3-13-33/h4-5,8,11,16-17,22,24H,2-3,6-7,9-10,12-15,18H2,1H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.70n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123081
PNG
(US8742115, 21)
Show SMILES CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C30H40ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38)/t21?,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

5.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123084
PNG
(US8742115, 24)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Br)c(C)c3)CC2)c1
Show InChI InChI=1S/C27H34BrN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

5.80n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123071
PNG
(US8742115, 10)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4/c1-19-15-21(3-4-24(19)30)18-33-9-7-23(8-10-33)35-25(5-6-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-13-39-14-12-34/h3-4,15-17,23,25H,5-14,18H2,1-2H3,(H,31,32,37)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123077
PNG
(US8742115, 16)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCC1
Show InChI InChI=1S/C28H34ClN5O3/c1-18-14-20(4-5-23(18)29)17-32-12-8-22(9-13-32)34-24(6-7-26(34)35)27(36)31-25-16-21(15-19(2)30-25)28(37)33-10-3-11-33/h4-5,14-16,22,24H,3,6-13,17H2,1-2H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

6.80n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123093
PNG
(US8742115, 33)
Show SMILES CCc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(cc(C)n2)C(=O)N(C)C)ccc1Cl
Show InChI InChI=1S/C28H36ClN5O3/c1-5-20-15-19(6-7-23(20)29)17-33-12-10-22(11-13-33)34-24(8-9-26(34)35)27(36)31-25-16-21(14-18(2)30-25)28(37)32(3)4/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

7.90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123094
PNG
(US8742115, 34)
Show SMILES CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)nc(c1)C#C
Show InChI InChI=1S/C28H32ClN5O3/c1-5-21-15-20(28(37)32(3)4)16-25(30-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-19-6-7-23(29)18(2)14-19/h1,6-7,14-16,22,24H,8-13,17H2,2-4H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

7.90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123085
PNG
(US8742115, 25)
Show SMILES CCc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C
Show InChI InChI=1S/C28H36ClN5O3/c1-5-21-15-20(28(37)32(3)4)16-25(30-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-19-6-7-23(29)18(2)14-19/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

8.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123069
PNG
(US8742115, 8)
Show SMILES CN(C)C(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C26H32ClN5O3/c1-17-14-18(4-5-21(17)27)16-31-12-9-20(10-13-31)32-22(6-7-24(32)33)25(34)29-23-15-19(8-11-28-23)26(35)30(2)3/h4-5,8,11,14-15,20,22H,6-7,9-10,12-13,16H2,1-3H3,(H,28,29,34)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

8.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123068
PNG
(US8742115, 7)
Show SMILES CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C26H32ClN5O3/c1-16-12-18(4-5-21(16)27)15-31-10-8-20(9-11-31)32-22(6-7-24(32)33)26(35)30-23-14-19(25(34)28-3)13-17(2)29-23/h4-5,12-14,20,22H,6-11,15H2,1-3H3,(H,28,34)(H,29,30,35)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

10.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123088
PNG
(US8742115, 28)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C26H31Cl2N5O3/c1-16-12-18(26(36)31(2)3)14-23(29-16)30-25(35)22-6-7-24(34)33(22)19-8-10-32(11-9-19)15-17-4-5-20(27)21(28)13-17/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,29,30,35)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

17.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123074
PNG
(US8742115, 13)
Show SMILES Cc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(ccn2)C(=O)N2CCOCC2)ccc1Cl
Show InChI InChI=1S/C28H34ClN5O4/c1-19-16-20(2-3-23(19)29)18-32-10-7-22(8-11-32)34-24(4-5-26(34)35)27(36)31-25-17-21(6-9-30-25)28(37)33-12-14-38-15-13-33/h2-3,6,9,16-17,22,24H,4-5,7-8,10-15,18H2,1H3,(H,30,31,36)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

19.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123062
PNG
(US8742115, 1)
Show SMILES CNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C25H30ClN5O3/c1-16-13-17(3-4-20(16)26)15-30-11-8-19(9-12-30)31-21(5-6-23(31)32)25(34)29-22-14-18(7-10-28-22)24(33)27-2/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

23.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123064
PNG
(US8742115, 3)
Show SMILES COc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C24H29ClN4O3/c1-16-13-17(3-4-20(16)25)15-28-11-8-18(9-12-28)29-21(5-6-23(29)30)24(31)27-22-14-19(32-2)7-10-26-22/h3-4,7,10,13-14,18,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

46.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123095
PNG
(US8742115, 35)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3cc(C)c(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C28H36ClN5O3/c1-17-12-20(13-18(2)26(17)29)16-33-10-8-22(9-11-33)34-23(6-7-25(34)35)27(36)31-24-15-21(14-19(3)30-24)28(37)32(4)5/h12-15,22-23H,6-11,16H2,1-5H3,(H,30,31,36)/t23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

61.3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123065
PNG
(US8742115, 4)
Show SMILES Cc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C24H29ClN4O2/c1-16-7-10-26-22(13-16)27-24(31)21-5-6-23(30)29(21)19-8-11-28(12-9-19)15-18-3-4-20(25)17(2)14-18/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

67.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123063
PNG
(US8742115, 2)
Show SMILES Cc1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
Show InChI InChI=1S/C24H29ClN4O2/c1-16-14-18(6-7-20(16)25)15-28-12-10-19(11-13-28)29-21(8-9-23(29)30)24(31)27-22-5-3-4-17(2)26-22/h3-7,14,19,21H,8-13,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

69.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123090
PNG
(US8742115, 30)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(F)c(C)c3)CC2)c1
Show InChI InChI=1S/C27H34FN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

70.3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123067
PNG
(US8742115, 6)
Show SMILES CNC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
Show InChI InChI=1S/C25H30ClN5O3/c1-16-14-17(6-7-19(16)26)15-30-12-10-18(11-13-30)31-21(8-9-23(31)32)25(34)29-22-5-3-4-20(28-22)24(33)27-2/h3-7,14,18,21H,8-13,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

72n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123091
PNG
(US8742115, 31)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(c3)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C27H31ClF3N5O3/c1-16-12-18(26(39)34(2)3)14-23(32-16)33-25(38)22-6-7-24(37)36(22)19-8-10-35(11-9-19)15-17-4-5-21(28)20(13-17)27(29,30)31/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,32,33,38)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

87.2n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123066
PNG
(US8742115, 5)
Show SMILES CCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c1-3-18-8-11-27-23(15-18)28-25(32)22-6-7-24(31)30(22)20-9-12-29(13-10-20)16-19-4-5-21(26)17(2)14-19/h4-5,8,11,14-15,20,22H,3,6-7,9-10,12-13,16H2,1-2H3,(H,27,28,32)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

197n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123086
PNG
(US8742115, 26)
Show SMILES COc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C
Show InChI InChI=1S/C27H34ClN5O4/c1-17-13-18(5-6-21(17)28)16-32-11-9-20(10-12-32)33-22(7-8-25(33)34)26(35)30-23-14-19(27(36)31(2)3)15-24(29-23)37-4/h5-6,13-15,20,22H,7-12,16H2,1-4H3,(H,29,30,35)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

232n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123087
PNG
(US8742115, 27)
Show SMILES CCCCc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C
Show InChI InChI=1S/C30H40ClN5O3/c1-5-6-7-23-17-22(30(39)34(3)4)18-27(32-23)33-29(38)26-10-11-28(37)36(26)24-12-14-35(15-13-24)19-21-8-9-25(31)20(2)16-21/h8-9,16-18,24,26H,5-7,10-15,19H2,1-4H3,(H,32,33,38)/t26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

414n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123075
PNG
(US8742115, 14)
Show SMILES CN(C(=O)[C@H]1CCC(=O)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1)c1ccccn1
Show InChI InChI=1S/C24H29ClN4O2/c1-17-15-18(6-7-20(17)25)16-28-13-10-19(11-14-28)29-21(8-9-23(29)30)24(31)27(2)22-5-3-4-12-26-22/h3-7,12,15,19,21H,8-11,13-14,16H2,1-2H3/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.40E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MAGL expressed in african green monkey COS7 cells assessed as inhibition of 2-AG hydrolysis after 30 mins by LC-MS an...


Bioorg Med Chem Lett 21: 6782-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.038
BindingDB Entry DOI: 10.7270/Q2TH8N3G
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408439
PNG
(CHEMBL2068890)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=O
Show InChI InChI=1S/C22H34O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h3-4,13,15-19,24-25H,5-12,14H2,1-2H3/b4-3+/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408921
PNG
(CHEMBL2068972)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=C\CCCN
Show InChI InChI=1S/C26H43NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h3-4,6,8,19-23,28-29H,5,7,9-18,27H2,1-2H3/b4-3+,8-6+/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM46355
PNG
(DIGOXIN | MLS000069819 | SMR000059217 | cid_272438...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM66977
PNG
(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
Show InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408917
PNG
(CHEMBL2068902)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCCCCCCN
Show InChI InChI=1S/C26H47NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h19-23,28-29H,3-18,27H2,1-2H3/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408916
PNG
(CHEMBL2068975)
Show SMILES C\C(C=O)=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H36O3/c1-15(14-24)12-17-6-11-23(26)20-5-4-16-13-18(25)7-9-21(16,2)19(20)8-10-22(17,23)3/h12,14,16-20,25-26H,4-11,13H2,1-3H3/b15-12+/t16-,17-,18+,19+,20-,21+,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408920
PNG
(CHEMBL2069058)
Show SMILES CN(C)CCO\N=C\C=C\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-8,17,21-25,31-32H,9-16,18-20H2,1-4H3/b7-5+,8-6+,29-17+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408915
PNG
(CHEMBL2068981)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=O
Show InChI InChI=1S/C20H32O3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21)5-10-20(17,19)23/h12-17,22-23H,3-11H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408914
PNG
(CHEMBL2068977)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCC=O
Show InChI InChI=1S/C22H36O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h13,15-19,24-25H,3-12,14H2,1-2H3/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408918
PNG
(CHEMBL2068898 | CHEMBL2068976)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CN=O
Show InChI InChI=1S/C20H33NO3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21-24)5-10-20(17,19)23/h13-17,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain


(Canis familiaris)
BDBM50408918
PNG
(CHEMBL2068898 | CHEMBL2068976)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CN=O
Show InChI InChI=1S/C20H33NO3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21-24)5-10-20(17,19)23/h13-17,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against dog kidney Na+,K+-ATPase


J Med Chem 43: 2332-49 (2000)


Article DOI: 10.1021/jm990627w
BindingDB Entry DOI: 10.7270/Q2KP82VV
More data for this
Ligand-Target Pair