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BDBM50175182 4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,4-difluorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide::CHEMBL372529

SMILES: CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl

InChI Key: InChIKey=AGDLGOIDLZWXJE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175182   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50175182
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,4-dif...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl2F2N5O3/c1-2-35-30(42)39-13-3-12-38(14-15-39)27-9-6-21(28(40)36-11-10-19-4-7-22(31)18-23(19)32)17-26(27)37-29(41)20-5-8-24(33)25(34)16-20/h4-9,16-18H,2-3,10-15H2,1H3,(H,35,42)(H,36,40)(H,37,41)
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair