BindingDB logo
myBDB logout

BDBM38134 3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methyl-N-(methylsulfonyl)-1H-indole-2-carboxamide::US10093640, Example 116::US10844032, Example 116

SMILES: Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl

InChI Key: InChIKey=JMFSYLGQPBISKW-UHFFFAOYSA-N

Data: 1 KI  1 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 = 38134   
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
Induced myeloid leukemia cell differentiation protein Mcl-1 (aa 172-327)


(Homo sapiens (Human))
BDBM38134
PNG
(3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methy...)
Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Show InChI InChI=1S/C21H21N7O2/c1-25-17-6-3-2-5-15(17)16-13-24-28(20(30)19(16)25)14-18(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,13H,9-12,14H2,1H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...


US Patent US10844032 (2020)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM38134
PNG
(3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methy...)
Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Show InChI InChI=1S/C21H21N7O2/c1-25-17-6-3-2-5-15(17)16-13-24-28(20(30)19(16)25)14-18(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,13H,9-12,14H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10093646 (2018)


BindingDB Entry DOI: 10.7270/Q29P33PN
More data for this
Ligand-Target Pair