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BDBM94217 MLS000529731::N-[(1,2-dimethyl-5-indolyl)methyl]-4-(4-morpholinylsulfonyl)benzamide::N-[(1,2-dimethylindol-5-yl)methyl]-4-morpholin-4-ylsulfonyl-benzamide::N-[(1,2-dimethylindol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide::N-[(1,2-dimethylindol-5-yl)methyl]-4-morpholinosulfonyl-benzamide::SMR000127186::cid_3251511

SMILES: Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)ccc2n1C

InChI Key: InChIKey=KENHJKZIEBPMNF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 94217   
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
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM94217
PNG
(MLS000529731 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)ccc2n1C
Show InChI InChI=1S/C22H25N3O4S/c1-16-13-19-14-17(3-8-21(19)24(16)2)15-23-22(26)18-4-6-20(7-5-18)30(27,28)25-9-11-29-12-10-25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,26)
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MMDB

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PC cid
PC sid
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PCBioAssay
n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM94217
PNG
(MLS000529731 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)ccc2n1C
Show InChI InChI=1S/C22H25N3O4S/c1-16-13-19-14-17(3-8-21(19)24(16)2)15-23-22(26)18-4-6-20(7-5-18)30(27,28)25-9-11-29-12-10-25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,26)
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n/an/a 8.33E+4n/an/an/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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM94217
PNG
(MLS000529731 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)ccc2n1C
Show InChI InChI=1S/C22H25N3O4S/c1-16-13-19-14-17(3-8-21(19)24(16)2)15-23-22(26)18-4-6-20(7-5-18)30(27,28)25-9-11-29-12-10-25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,26)
PDB
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n/an/a 1.06E+4n/an/an/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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair