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BDBM46771 (adamantane-1-carbonylamino)thiourea::1-(1-adamantylcarbonylamino)thiourea::2-(1-adamantylcarbonyl)hydrazine-1-carbothioamide::MLS000584134::SMR000203297::[[1-adamantyl(oxo)methyl]amino]thiourea::cid_2726512

SMILES: [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S

InChI Key: InChIKey=JVJZNULYJHOVPX-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 46771   
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
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46771
PNG
((adamantane-1-carbonylamino)thiourea | 1-(1-adaman...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C12H19N3OS/c13-11(17)15-14-10(16)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,14,16)(H3,13,15,17)
KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28S4NBW
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM46771
PNG
((adamantane-1-carbonylamino)thiourea | 1-(1-adaman...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C12H19N3OS/c13-11(17)15-14-10(16)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,14,16)(H3,13,15,17)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.53E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46771
PNG
((adamantane-1-carbonylamino)thiourea | 1-(1-adaman...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C12H19N3OS/c13-11(17)15-14-10(16)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,14,16)(H3,13,15,17)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.76E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q22Z13Z2
More data for this
Ligand-Target Pair