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BDBM345938 N-(3-Chloro-pyridin-2-ylmethyl)-N-[2-(4,4-difluoro-piperidin-1-yl)-ethyl]-2-(4-isobutyl-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepin-9-ylamino)-acetamide::US10202368, Example 13

SMILES: CC(C)CN1CCOc2c(C1)cccc2NCC(=O)N(CCN1CCC(F)(F)CC1)Cc1ncccc1Cl

InChI Key: InChIKey=FPAIGRVOXILWRI-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 345938   
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
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM345938
PNG
(N-(3-Chloro-pyridin-2-ylmethyl)-N-[2-(4,4-difluoro...)
Show SMILES CC(C)CN1CCOc2c(C1)cccc2NCC(=O)N(CCN1CCC(F)(F)CC1)Cc1ncccc1Cl
Show InChI InChI=1S/C28H38ClF2N5O2/c1-21(2)18-35-15-16-38-27-22(19-35)5-3-7-24(27)33-17-26(37)36(20-25-23(29)6-4-10-32-25)14-13-34-11-8-28(30,31)9-12-34/h3-7,10,21,33H,8-9,11-20H2,1-2H3
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 88n/an/an/an/a



IDORSIA PHARMACEUTICALS Ltd

US Patent


Assay Description
The assay is using the PathHunter CHO-K1 CXCR7 β-arrestin cell line from DiscoverX. The system is based on the Enzyme Fragment Complementation T...


US Patent US10202368 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JRJ
More data for this
Ligand-Target Pair