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9 similar compounds to monomer 23402

Compile data set for download or QSAR
Wt: 412.4
BDBM50356283
Wt: 413.4
BDBM50356284
Wt: 436.4
BDBM50356285
Wt: 430.4
BDBM50356286
Wt: 448.4
BDBM50356287
Wt: 414.4
BDBM50356288
Wt: 429.4
BDBM50356289
Wt: 397.3
BDBM50356292
Wt: 428.4
BDBM50410310

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50356283,50356284,50356285,50356286,50356287,50356288,50356289,50356292,50410310   
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
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356287
PNG
(CHEMBL1910941)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C20H18F2N4O4S/c21-13-8-12(9-14(22)10-13)11-24-20(28)17-18(27)16-15(4-3-5-23-16)19(25-17)26-6-1-2-7-31(26,29)30/h3-5,8-10,27H,1-2,6-7,11H2,(H,24,28)
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PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356286
PNG
(CHEMBL1910940)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-6-3-5-13(11-14)12-23-20(27)17-18(26)16-15(7-4-8-22-16)19(24-17)25-9-1-2-10-30(25,28)29/h3-8,11,26H,1-2,9-10,12H2,(H,23,27)
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5.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356285
PNG
(CHEMBL1910939)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Show InChI InChI=1S/C19H24N4O6S/c1-19(2,3)29-13(24)11-21-18(26)15-16(25)14-12(7-6-8-20-14)17(22-15)23-9-4-5-10-30(23,27)28/h6-8,25H,4-5,9-11H2,1-3H3,(H,21,26)
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8.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356284
PNG
(CHEMBL1910938)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C19H19N5O4S/c25-17-15-14(6-4-8-21-15)18(24-9-1-2-10-29(24,27)28)23-16(17)19(26)22-12-13-5-3-7-20-11-13/h3-8,11,25H,1-2,9-10,12H2,(H,22,26)
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1.40E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356283
PNG
(CHEMBL246535)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H20N4O4S/c25-18-16-15(9-6-10-21-16)19(24-11-4-5-12-29(24,27)28)23-17(18)20(26)22-13-14-7-2-1-3-8-14/h1-3,6-10,25H,4-5,11-13H2,(H,22,26)
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1.60E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356289
PNG
(CHEMBL1910943)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2ccccc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H20FN3O4S/c22-15-7-5-6-14(12-15)13-23-21(27)18-19(26)16-8-1-2-9-17(16)20(24-18)25-10-3-4-11-30(25,28)29/h1-2,5-9,12,26H,3-4,10-11,13H2,(H,23,27)
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2.60E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356292
PNG
(CHEMBL1910946)
Show SMILES Oc1ccc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H17F2N3O4S/c18-12-7-11(8-13(19)9-12)10-20-17(24)16-14(23)3-4-15(21-16)22-5-1-2-6-27(22,25)26/h3-4,7-9,23H,1-2,5-6,10H2,(H,20,24)
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4.50E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356288
PNG
(CHEMBL1910942)
Show SMILES Fc1ccc(CNC(=O)c2cc3ncccc3c(n2)N2CCCCS2(=O)=O)cc1
Show InChI InChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)13-23-20(26)18-12-17-16(4-3-9-22-17)19(24-18)25-10-1-2-11-29(25,27)28/h3-9,12H,1-2,10-11,13H2,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356286
PNG
(CHEMBL1910940)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-6-3-5-13(11-14)12-23-20(27)17-18(26)16-15(7-4-8-22-16)19(24-17)25-9-1-2-10-30(25,28)29/h3-8,11,26H,1-2,9-10,12H2,(H,23,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50410310
PNG
(CHEMBL2079773)
Show SMILES [O-]c1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)[N-]Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9H,1-2,10-12H2,(H2,23,26,27)/p-2
PDB
MMDB

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n/an/a 10n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1 integrase


J Med Chem 48: 1930-40 (2005)


Article DOI: 10.1021/jm049559q
BindingDB Entry DOI: 10.7270/Q29Z94FZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356287
PNG
(CHEMBL1910941)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C20H18F2N4O4S/c21-13-8-12(9-14(22)10-13)11-24-20(28)17-18(27)16-15(4-3-5-23-16)19(25-17)26-6-1-2-7-31(26,29)30/h3-5,8-10,27H,1-2,6-7,11H2,(H,24,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356285
PNG
(CHEMBL1910939)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Show InChI InChI=1S/C19H24N4O6S/c1-19(2,3)29-13(24)11-21-18(26)15-16(25)14-12(7-6-8-20-14)17(22-15)23-9-4-5-10-30(23,27)28/h6-8,25H,4-5,9-11H2,1-3H3,(H,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair