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BDBM91360 (1S,3R,12bS)-9-chloranyl-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-12b-methyl-4-oxidanylidene-N,N-di(propan-2-yl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide::(1S,3R,12bS)-9-chloro-3-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-12b-methyl-4-oxo-N,N-di(propan-2-yl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide::(1S,3R,12bS)-9-chloro-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]-N,N-diisopropyl-4-keto-12b-methyl-1,2,3,6,7,12-hexahydropyrido[2,1-a]-carboline-1-carboxamide::(1S,3R,12bS)-9-chloro-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-12b-methyl-4-oxo-N,N-di(propan-2-yl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide::MLS002610954::SMR001544129::cid_44601644

SMILES: CC(C)N(C(C)C)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C

InChI Key: InChIKey=SWSFLVWOKXHALU-OTEOEGHSSA-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 = 91360   
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))
BDBM91360
PNG
((1S,3R,12bS)-9-chloranyl-3-[2-[2-(cyclohexen-1-yl)...)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C |t:18|
Show InChI InChI=1S/C33H45ClN4O3/c1-20(2)38(21(3)4)32(41)27-17-23(18-29(39)35-15-13-22-9-7-6-8-10-22)31(40)37-16-14-25-26-19-24(34)11-12-28(26)36-30(25)33(27,37)5/h9,11-12,19-21,23,27,36H,6-8,10,13-18H2,1-5H3,(H,35,39)/t23-,27-,33+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.28E+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))
BDBM91360
PNG
((1S,3R,12bS)-9-chloranyl-3-[2-[2-(cyclohexen-1-yl)...)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C |t:18|
Show InChI InChI=1S/C33H45ClN4O3/c1-20(2)38(21(3)4)32(41)27-17-23(18-29(39)35-15-13-22-9-7-6-8-10-22)31(40)37-16-14-25-26-19-24(34)11-12-28(26)36-30(25)33(27,37)5/h9,11-12,19-21,23,27,36H,6-8,10,13-18H2,1-5H3,(H,35,39)/t23-,27-,33+/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