BindingDB logo
myBDB logout

PubMed code 24215889

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444174
PNG
(CHEMBL3091483)
Show SMILES O=C(Nc1nc(c(s1)C#N)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C32H33N5O2S/c33-24-29-30(27-14-8-3-9-15-27)34-31(40-29)35-32(38)37(19-18-36-20-22-39-23-21-36)17-16-28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,28H,16-23H2,(H,34,35,38)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 157n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444183
PNG
(CHEMBL3093413)
Show SMILES O=C(Nc1nnc(o1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C30H33N5O3/c36-30(31-29-33-32-28(38-29)26-14-8-3-9-15-26)35(19-18-34-20-22-37-23-21-34)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,33,36)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.03E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444164
PNG
(CHEMBL3093423)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C31H36N6O4S2/c1-43(39,40)35-27-14-12-26(13-15-27)29-32-30(42-34-29)33-31(38)37(19-18-36-20-22-41-23-21-36)17-16-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,28,35H,16-23H2,1H3,(H,32,33,34,38)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444165
PNG
(CHEMBL3093422)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H34ClN5O4S2/c32-29-28(25-11-13-26(14-12-25)43(33,39)40)34-30(42-29)35-31(38)37(18-17-36-19-21-41-22-20-36)16-15-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-22H2,(H2,33,39,40)(H,34,35,38)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444173
PNG
(CHEMBL3093425)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccccc2F)c2ccccc2F)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-9-11-22(12-10-21)45(35,41)42)36-30(44-29)37-31(40)39(16-15-38-17-19-43-20-18-38)14-13-23(24-5-1-3-7-26(24)33)25-6-2-4-8-27(25)34/h1-12,23H,13-20H2,(H2,35,41,42)(H,36,37,40)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444163
PNG
(CHEMBL3093424)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C30H34N6O4S2/c31-42(38,39)26-13-11-25(12-14-26)28-32-29(41-34-28)33-30(37)36(18-17-35-19-21-40-22-20-35)16-15-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-22H2,(H2,31,38,39)(H,32,33,34,37)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444178
PNG
(CHEMBL3093414)
Show SMILES O=C(Nc1nnc(s1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C30H33N5O2S/c36-30(31-29-33-32-28(38-29)26-14-8-3-9-15-26)35(19-18-34-20-22-37-23-21-34)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,33,36)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 286n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444168
PNG
(CHEMBL3093430)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C31H34F2N6O4S2/c1-45(41,42)37-27-12-6-24(7-13-27)29-34-30(44-36-29)35-31(40)39(17-16-38-18-20-43-21-19-38)15-14-28(22-2-8-25(32)9-3-22)23-4-10-26(33)11-5-23/h2-13,28,37H,14-21H2,1H3,(H,34,35,36,40)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444171
PNG
(CHEMBL3093427)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(23-5-11-26(12-6-23)45(35,41)42)36-30(44-29)37-31(40)39(16-15-38-17-19-43-20-18-38)14-13-27(21-1-7-24(33)8-2-21)22-3-9-25(34)10-4-22/h1-12,27H,13-20H2,(H2,35,41,42)(H,36,37,40)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444172
PNG
(CHEMBL3093426)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2cccc(F)c2)c2cccc(F)c2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-7-9-26(10-8-21)45(35,41)42)36-30(44-29)37-31(40)39(14-13-38-15-17-43-18-16-38)12-11-27(22-3-1-5-24(33)19-22)23-4-2-6-25(34)20-23/h1-10,19-20,27H,11-18H2,(H2,35,41,42)(H,36,37,40)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444179
PNG
(CHEMBL3093415)
Show SMILES O=C(Nc1nsc(n1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C30H33N5O2S/c36-30(32-29-31-28(38-33-29)26-14-8-3-9-15-26)35(19-18-34-20-22-37-23-21-34)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,32,33,36)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 175n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444182
PNG
(CHEMBL3093412)
Show SMILES O=C(Nc1cccc(n1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C33H36N4O2/c38-33(35-32-18-10-17-31(34-32)29-15-8-3-9-16-29)37(22-21-36-23-25-39-26-24-36)20-19-30(27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-18,30H,19-26H2,(H,34,35,38)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444170
PNG
(CHEMBL3093428)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C32H34ClF2N5O4S2/c1-46(42,43)38-27-12-6-24(7-13-27)29-30(33)45-31(36-29)37-32(41)40(17-16-39-18-20-44-21-19-39)15-14-28(22-2-8-25(34)9-3-22)23-4-10-26(35)11-5-23/h2-13,28,38H,14-21H2,1H3,(H,36,37,41)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444177
PNG
(CHEMBL3093419)
Show SMILES CS(=O)(=O)c1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1
Show InChI InChI=1S/C32H36N4O4S2/c1-42(38,39)30-29(27-15-9-4-10-16-27)33-31(41-30)34-32(37)36(20-19-35-21-23-40-24-22-35)18-17-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28H,17-24H2,1H3,(H,33,34,37)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444169
PNG
(CHEMBL3093429)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C30H32F2N6O4S2/c31-24-7-1-21(2-8-24)27(22-3-9-25(32)10-4-22)13-14-38(16-15-37-17-19-42-20-18-37)30(39)35-29-34-28(36-43-29)23-5-11-26(12-6-23)44(33,40)41/h1-12,27H,13-20H2,(H2,33,40,41)(H,34,35,36,39)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444166
PNG
(CHEMBL3093421)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C32H36ClN5O4S2/c1-44(40,41)36-27-14-12-26(13-15-27)29-30(33)43-31(34-29)35-32(39)38(19-18-37-20-22-42-23-21-37)17-16-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,28,36H,16-23H2,1H3,(H,34,35,39)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444167
PNG
(CHEMBL3093411)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C32H37N5O4S2/c1-43(39,40)35-28-14-12-27(13-15-28)30-24-42-31(33-30)34-32(38)37(19-18-36-20-22-41-23-21-36)17-16-29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,24,29,35H,16-23H2,1H3,(H,33,34,38)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444176
PNG
(CHEMBL3093418)
Show SMILES Fc1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1
Show InChI InChI=1S/C31H33FN4O2S/c32-29-28(26-14-8-3-9-15-26)33-30(39-29)34-31(37)36(19-18-35-20-22-38-23-21-35)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,33,34,37)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 53n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444181
PNG
(CHEMBL3093417)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C31H34N4O2S/c36-31(33-30-32-29(24-38-30)27-14-8-3-9-15-27)35(19-18-34-20-22-37-23-21-34)17-16-28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2,(H,32,33,36)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 36n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444180
PNG
(CHEMBL3093416)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C30H33N5O2S/c36-30(32-29-31-28(33-38-29)26-14-8-3-9-15-26)35(19-18-34-20-22-37-23-21-34)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,32,33,36)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50444175
PNG
(CHEMBL3093420)
Show SMILES Clc1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1
Show InChI InChI=1S/C31H33ClN4O2S/c32-29-28(26-14-8-3-9-15-26)33-30(39-29)34-31(37)36(19-18-35-20-22-38-23-21-35)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,33,34,37)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.050
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%