BindingDB logo
myBDB logout

4 similar compounds to monomer 50356294

Compile data set for download or QSAR
Wt: 476.2
BDBM50356278
Wt: 541.4
BDBM50356280
Wt: 463.3
BDBM50356295
Wt: 461.3
BDBM50356296

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50356278,50356280,50356295,50356296   
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))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
710n/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))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
840n/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))
BDBM50356296
PNG
(CHEMBL1910951)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC1CCC1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H21BrN4O5S/c17-11-8-12(21-6-1-2-7-27(21,25)26)20-14(15(11)23)16(24)18-9-13(22)19-10-4-3-5-10/h8,10,23H,1-7,9H2,(H,18,24)(H,19,22)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+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))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.70E+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 in presence of 5 mM MgCl2


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))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.30E+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))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60E+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 in the absence of MgCl2


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
CGRP


(RAT)
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat CGRP


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))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...


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))
BDBM50356295
PNG
(CHEMBL1910950)
Show SMILES CC(C)(C)NC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H23BrN4O5S/c1-16(2,3)20-12(22)9-18-15(24)13-14(23)10(17)8-11(19-13)21-6-4-5-7-27(21,25)26/h8,23H,4-7,9H2,1-3H3,(H,18,24)(H,20,22)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+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))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>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 in the absence of MgCl2


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))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+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))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+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))
BDBM50356295
PNG
(CHEMBL1910950)
Show SMILES CC(C)(C)NC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H23BrN4O5S/c1-16(2,3)20-12(22)9-18-15(24)13-14(23)10(17)8-11(19-13)21-6-4-5-7-27(21,25)26/h8,23H,4-7,9H2,1-3H3,(H,18,24)(H,20,22)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356296
PNG
(CHEMBL1910951)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC1CCC1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H21BrN4O5S/c17-11-8-12(21-6-1-2-7-27(21,25)26)20-14(15(11)23)16(24)18-9-13(22)19-10-4-3-5-10/h8,10,23H,1-7,9H2,(H,18,24)(H,19,22)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+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