new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'kunapuli' and Initial = 'p'   
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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
0.00500n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184071
PNG
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184072
PNG
((R)-4-(2-oxo-1,2,4,5-tetrahydrobenzo[d][1,3]diazep...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-13-7-5-11-24(26)27(22-9-2-1-3-10-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-14-21-8-4-6-12-25(21)36-31(40)44/h1-13,23,28H,14-20H2,(H,36,44)(H,38,43)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
61n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184074
PNG
((R)-N-(3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccccc2)cc1Br
Show InChI InChI=1S/C32H34Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-16-14-37(15-17-38)22-6-2-1-3-7-22)36-31(43)39-12-10-23(11-13-39)40-28-9-5-4-8-26(28)35-32(40)44/h1-9,18-19,23,27,41H,10-17,20H2,(H,35,44)(H,36,43)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
83n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184068
PNG
((R)-N-(1-ethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo...)
Show SMILES CCN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C31H32N6O3/c1-2-36-26-15-9-7-13-24(26)27(21-10-4-3-5-11-21)33-28(29(36)38)34-30(39)35-18-16-23(17-19-35)37-20-22-12-6-8-14-25(22)32-31(37)40/h3-15,23,28H,2,16-20H2,1H3,(H,32,40)(H,34,39)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
897n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184076
PNG
((R,S)-N-(1-isopropyl-2-oxo-5-phenyl-2,3-dihydro-1H...)
Show SMILES CC(C)N1c2ccccc2C(=NC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C32H34N6O3/c1-21(2)38-27-15-9-7-13-25(27)28(22-10-4-3-5-11-22)34-29(30(38)39)35-31(40)36-18-16-24(17-19-36)37-20-23-12-6-8-14-26(23)33-32(37)41/h3-15,21,24,29H,16-20H2,1-2H3,(H,33,41)(H,35,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.06E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184070
PNG
((R)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C30H30N6O3/c1-34-25-14-8-6-12-23(25)26(20-9-3-2-4-10-20)32-27(28(34)37)33-29(38)35-17-15-22(16-18-35)36-19-21-11-5-7-13-24(21)31-30(36)39/h2-14,22,27H,15-19H2,1H3,(H,31,39)(H,33,38)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184075
PNG
((R)-4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C30H27F3N6O3/c31-30(32,33)18-38-23-12-6-4-10-21(23)25(19-8-2-1-3-9-19)35-26(27(38)40)36-28(41)37-16-14-20(15-17-37)39-24-13-7-5-11-22(24)34-29(39)42/h1-13,20,26H,14-18H2,(H,34,42)(H,36,41)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.37E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184077
PNG
(3-{2,5-dioxo-3',4'-dihydro-1'H-spiro[imidazolidine...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CC4(CCc3c2)NC(=O)NC4=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C29H26N6O4/c1-35-22-10-6-5-9-21(22)23(17-7-3-2-4-8-17)31-24(25(35)36)32-27(38)30-20-12-11-19-16-29(14-13-18(19)15-20)26(37)33-28(39)34-29/h2-12,15,24H,13-14,16H2,1H3,(H2,30,32,38)(H2,33,34,37,39)/t24-,29?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.25E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184067
PNG
((S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C30H30N6O3/c1-34-25-14-8-6-12-23(25)26(20-9-3-2-4-10-20)32-27(28(34)37)33-29(38)35-17-15-22(16-18-35)36-19-21-11-5-7-13-24(21)31-30(36)39/h2-14,22,27H,15-19H2,1H3,(H,31,39)(H,33,38)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184073
PNG
((R,S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C29H28N6O3/c1-33-23-13-7-5-11-21(23)25(19-9-3-2-4-10-19)31-26(27(33)36)32-28(37)34-17-15-20(16-18-34)35-24-14-8-6-12-22(24)30-29(35)38/h2-14,20,26H,15-18H2,1H3,(H,30,38)(H,32,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.30E+4n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

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



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM92490
PNG
(Compound # 1)
Show SMILES Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21
Show InChI InChI=1S/C14H15BrN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM92490
PNG
(Compound # 1)
Show SMILES Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21
Show InChI InChI=1S/C14H15BrN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
384-Well TR-Fret assay using AKT-tide peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Merck Research Laboratories



Assay Description
384-Well TR-Fret assay using AKT-tide peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184071
PNG
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184072
PNG
((R)-4-(2-oxo-1,2,4,5-tetrahydrobenzo[d][1,3]diazep...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-13-7-5-11-24(26)27(22-9-2-1-3-10-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-14-21-8-4-6-12-25(21)36-31(40)44/h1-13,23,28H,14-20H2,(H,36,44)(H,38,43)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184074
PNG
((R)-N-(3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccccc2)cc1Br
Show InChI InChI=1S/C32H34Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-16-14-37(15-17-38)22-6-2-1-3-7-22)36-31(43)39-12-10-23(11-13-39)40-28-9-5-4-8-26(28)35-32(40)44/h1-9,18-19,23,27,41H,10-17,20H2,(H,35,44)(H,36,43)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184068
PNG
((R)-N-(1-ethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo...)
Show SMILES CCN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C31H32N6O3/c1-2-36-26-15-9-7-13-24(26)27(21-10-4-3-5-11-21)33-28(29(36)38)34-30(39)35-18-16-23(17-19-35)37-20-22-12-6-8-14-25(22)32-31(37)40/h3-15,23,28H,2,16-20H2,1H3,(H,32,40)(H,34,39)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184075
PNG
((R)-4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C30H27F3N6O3/c31-30(32,33)18-38-23-12-6-4-10-21(23)25(19-8-2-1-3-9-19)35-26(27(38)40)36-28(41)37-16-14-20(15-17-37)39-24-13-7-5-11-22(24)34-29(39)42/h1-13,20,26H,14-18H2,(H,34,42)(H,36,41)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184076
PNG
((R,S)-N-(1-isopropyl-2-oxo-5-phenyl-2,3-dihydro-1H...)
Show SMILES CC(C)N1c2ccccc2C(=NC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C32H34N6O3/c1-21(2)38-27-15-9-7-13-25(27)28(22-10-4-3-5-11-22)34-29(30(38)39)35-31(40)36-18-16-24(17-19-36)37-20-23-12-6-8-14-26(23)33-32(37)41/h3-15,21,24,29H,16-20H2,1-2H3,(H,33,41)(H,35,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.81E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184070
PNG
((R)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C30H30N6O3/c1-34-25-14-8-6-12-23(25)26(20-9-3-2-4-10-20)32-27(28(34)37)33-29(38)35-17-15-22(16-18-35)36-19-21-11-5-7-13-24(21)31-30(36)39/h2-14,22,27H,15-19H2,1H3,(H,31,39)(H,33,38)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.64E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184067
PNG
((S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C30H30N6O3/c1-34-25-14-8-6-12-23(25)26(20-9-3-2-4-10-20)32-27(28(34)37)33-29(38)35-17-15-22(16-18-35)36-19-21-11-5-7-13-24(21)31-30(36)39/h2-14,22,27H,15-19H2,1H3,(H,31,39)(H,33,38)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.45E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM92492
PNG
(Alkaloid 1)
Show SMILES CCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C |r,THB:14:13:10.11:6.8.7|
Show InChI InChI=1S/C26H34N4O3/c1-4-27-26(32)33-24-15-14-22-21(16-23(24)30(22)17-18-8-6-5-7-9-18)25(31)28-19-10-12-20(13-11-19)29(2)3/h5-13,21-24H,4,14-17H2,1-3H3,(H,27,32)(H,28,31)/t21-,22+,23+,24+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM92493
PNG
(Alkaloid 2)
Show SMILES CCCCCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2CCC(C)C)C(=O)Nc1ccc(cc1)N(C)C |r,THB:17:16:13.14:9.11.10|
Show InChI InChI=1S/C27H44N4O3/c1-6-7-8-16-28-27(33)34-25-14-13-23-22(18-24(25)31(23)17-15-19(2)3)26(32)29-20-9-11-21(12-10-20)30(4)5/h9-12,19,22-25H,6-8,13-18H2,1-5H3,(H,28,33)(H,29,32)/t22-,23+,24+,25+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM92492
PNG
(Alkaloid 1)
Show SMILES CCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C |r,THB:14:13:10.11:6.8.7|
Show InChI InChI=1S/C26H34N4O3/c1-4-27-26(32)33-24-15-14-22-21(16-23(24)30(22)17-18-8-6-5-7-9-18)25(31)28-19-10-12-20(13-11-19)29(2)3/h5-13,21-24H,4,14-17H2,1-3H3,(H,27,32)(H,28,31)/t21-,22+,23+,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
384-Well TR-Fret assay using AKT-tide peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM92493
PNG
(Alkaloid 2)
Show SMILES CCCCCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2CCC(C)C)C(=O)Nc1ccc(cc1)N(C)C |r,THB:17:16:13.14:9.11.10|
Show InChI InChI=1S/C27H44N4O3/c1-6-7-8-16-28-27(33)34-25-14-13-23-22(18-24(25)31(23)17-15-19(2)3)26(32)29-20-9-11-21(12-10-20)30(4)5/h9-12,19,22-25H,6-8,13-18H2,1-5H3,(H,28,33)(H,29,32)/t22-,23+,24+,25+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
384-Well TR-Fret assay using AKT-tide peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair