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BDBM345999 N-(2-Dimethylamino-ethyl)-2-(4-ethyl-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepin-9-ylamino)-N-(2-trifluoromethyl-thiazol-5-ylmethyl)-acetamide::US10202368, Example 76

SMILES: CCN1CCOc2c(C1)cccc2NCC(=O)N(CCN(C)C)Cc1cnc(s1)C(F)(F)F

InChI Key: InChIKey=SHUAXPOVHCEWNS-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 345999   
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))		BDBM345999
PNG
(N-(2-Dimethylamino-ethyl)-2-(4-ethyl-2,3,4,5-tetra...)
Show SMILES CCN1CCOc2c(C1)cccc2NCC(=O)N(CCN(C)C)Cc1cnc(s1)C(F)(F)F
Show InChI InChI=1S/C22H30F3N5O2S/c1-4-29-10-11-32-20-16(14-29)6-5-7-18(20)26-13-19(31)30(9-8-28(2)3)15-17-12-27-21(33-17)22(23,24)25/h5-7,12,26H,4,8-11,13-15H2,1-3H3
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US Patent
n/an/an/an/a 430n/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