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SMILES: CN1CCN(CC2CC2)Cc2cccc(NCC(=O)N(CCN3CCCC3)Cc3ncccc3C(F)(F)F)c12

InChI Key: InChIKey=CBWRTXJXLIRXEO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 345976   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM345976
PNG
(2-(4-Cyclopropylmethyl-1-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCN(CC2CC2)Cc2cccc(NCC(=O)N(CCN3CCCC3)Cc3ncccc3C(F)(F)F)c12
Show InChI InChI=1S/C29H39F3N6O/c1-35-14-15-37(19-22-9-10-22)20-23-6-4-8-25(28(23)35)34-18-27(39)38(17-16-36-12-2-3-13-36)21-26-24(29(30,31)32)7-5-11-33-26/h4-8,11,22,34H,2-3,9-10,12-21H2,1H3
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/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