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BDBM332582 4-(2-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl)phenylboronic acid::US10196369, Compound C37::US10196369, Compound C41

SMILES: OB(O)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

InChI Key: InChIKey=KBJWUWZGLNVBIU-UHFFFAOYSA-N

Data: 2 IC50

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 = 332582   
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
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332582
PNG
(4-(2-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspir...)
Show SMILES OB(O)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
Show InChI InChI=1S/C23H23BClN3O4/c25-18-5-6-19-16(11-18)12-20(26-19)22(30)28-13-23(14-28)7-9-27(10-8-23)21(29)15-1-3-17(4-2-15)24(31)32/h1-6,11-12,26,31-32H,7-10,13-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332582
PNG
(4-(2-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspir...)
Show SMILES OB(O)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
Show InChI InChI=1S/C23H23BClN3O4/c25-18-5-6-19-16(11-18)12-20(26-19)22(30)28-13-23(14-28)7-9-27(10-8-23)21(29)15-1-3-17(4-2-15)24(31)32/h1-6,11-12,26,31-32H,7-10,13-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.5n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair