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BDBM91366 (1S,12bS)-3-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-keto-ethyl]-N,N-diethyl-4-keto-9-methoxy-12b-methyl-1,2,3,6,7,12-hexahydropyrido[2,1-a]-carboline-1-carboxamide::(1S,12bS)-3-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-oxidanylidene-ethyl]-N,N-diethyl-9-methoxy-12b-methyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide::(1S,12bS)-3-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-oxoethyl]-N,N-diethyl-9-methoxy-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide::MLS002608821::SMR001530050::cid_44601757

SMILES: CCN(CC)C(=O)[C@H]1CC(CC(=O)NC\C=C(/C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C

InChI Key: InChIKey=FBEDTSXGGFQWHW-BLKMPNKGSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 91366   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM91366
PNG
((1S,12bS)-3-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]...)
Show SMILES CCN(CC)C(=O)[C@H]1CC(CC(=O)NC\C=C(/C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C |wD:40.44,7.6,(13.59,-2.49,;13.13,-1.02,;11.63,-.68,;10.58,-1.81,;11.04,-3.28,;11.17,.79,;9.67,1.13,;12.21,1.92,;13.78,1.58,;14.85,2.77,;16.36,2.46,;16.84,.99,;15.81,-.16,;18.35,.68,;18.83,-.78,;20.34,-1.1,;20.82,-2.56,;19.79,-3.71,;22.33,-2.88,;22.81,-4.34,;24.32,-4.65,;24.8,-6.12,;26.3,-6.43,;23.77,-7.26,;14.34,4.29,;15.36,5.45,;12.77,4.6,;12.29,6.07,;10.79,6.39,;9.76,5.24,;10.23,3.78,;8.99,2.88,;7.75,3.78,;6.2,3.42,;5.12,4.6,;5.61,6.12,;4.59,7.26,;3.08,6.95,;7.18,6.44,;8.23,5.24,;11.74,3.46,;10.71,2.31,)|
Show InChI InChI=1S/C34H48N4O4/c1-8-37(9-2)33(41)28-19-24(20-30(39)35-17-15-23(5)12-10-11-22(3)4)32(40)38-18-16-26-27-21-25(42-7)13-14-29(27)36-31(26)34(28,38)6/h11,13-15,21,24,28,36H,8-10,12,16-20H2,1-7H3,(H,35,39)/b23-15+/t24?,28-,34+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM91366
PNG
((1S,12bS)-3-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]...)
Show SMILES CCN(CC)C(=O)[C@H]1CC(CC(=O)NC\C=C(/C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C |wD:40.44,7.6,(13.59,-2.49,;13.13,-1.02,;11.63,-.68,;10.58,-1.81,;11.04,-3.28,;11.17,.79,;9.67,1.13,;12.21,1.92,;13.78,1.58,;14.85,2.77,;16.36,2.46,;16.84,.99,;15.81,-.16,;18.35,.68,;18.83,-.78,;20.34,-1.1,;20.82,-2.56,;19.79,-3.71,;22.33,-2.88,;22.81,-4.34,;24.32,-4.65,;24.8,-6.12,;26.3,-6.43,;23.77,-7.26,;14.34,4.29,;15.36,5.45,;12.77,4.6,;12.29,6.07,;10.79,6.39,;9.76,5.24,;10.23,3.78,;8.99,2.88,;7.75,3.78,;6.2,3.42,;5.12,4.6,;5.61,6.12,;4.59,7.26,;3.08,6.95,;7.18,6.44,;8.23,5.24,;11.74,3.46,;10.71,2.31,)|
Show InChI InChI=1S/C34H48N4O4/c1-8-37(9-2)33(41)28-19-24(20-30(39)35-17-15-23(5)12-10-11-22(3)4)32(40)38-18-16-26-27-21-25(42-7)13-14-29(27)36-31(26)34(28,38)6/h11,13-15,21,24,28,36H,8-10,12,16-20H2,1-7H3,(H,35,39)/b23-15+/t24?,28-,34+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/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