ChEMBL ligand: CHEMBL460491
CXCR4/C-X-C chemokine receptor type 4 in Human [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073] CXCR4/C-X-C chemokine receptor type 4 in Rat [ChEMBL: CHEMBL5556] [GtoPdb: 71] [UniProtKB: O08565] There should be some charts here, you may need to enable JavaScript!
Kv11.1/HERG in Human [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] There should be some charts here, you may need to enable JavaScript!
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL247] [UniProtKB: Q72547] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
CXCR4/C-X-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073]
ChEMBL	Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay	F	4.49	pIC50	32600	nM	IC50	RSC Med Chem (2020) 11: 125-131 [PMID:33479612]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	4.72	pIC50	18900	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assay	B	5.13	pIC50	7400	nM	IC50	RSC Med Chem (2020) 11: 125-131 [PMID:33479612]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	5.14	pIC50	7190	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 W94A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	5.2	pIC50	6370	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 E288A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	6.01	pIC50	967	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	6.37	pIC50	430	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	6.49	pIC50	326	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay	B	6.65	pIC50	223	nM	IC50	ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949]
ChEMBL	Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay	B	7.3	pIC50	50.12	nM	IC50	Eur J Med Chem (2019) 162: 631-649 [PMID:30476826]
ChEMBL	Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis	F	7.3	pIC50	50.12	nM	IC50	Eur J Med Chem (2019) 162: 631-649 [PMID:30476826]
ChEMBL	Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay	F	7.49	pIC50	32.5	nM	IC50	ACS Med Chem Lett (2020) 11: 2318-2324 [PMID:33214847]
ChEMBL	Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay	B	8	pIC50	10	nM	IC50	Eur J Med Chem (2019) 162: 631-649 [PMID:30476826]
ChEMBL	Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis	B	8	pIC50	10	nM	IC50	Eur J Med Chem (2019) 162: 631-649 [PMID:30476826]
ChEMBL	Displacement of [125I]CXCL12 from CXCR4 in human CEM cells	B	8.1	pIC50	8	nM	IC50	J Med Chem (2008) 51: 7915-7920 [PMID:19053768]
GtoPdb	-	-	8.1	pIC50	7.9	nM	IC50	J Med Chem (2008) 51: 7915-20 [PMID:19053768]; Eur J Med Chem (2019) 162: 631-649 [PMID:30476826]
ChEMBL	Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 mins	B	8.13	pIC50	7.4	nM	IC50	ACS Med Chem Lett (2020) 11: 2318-2324 [PMID:33214847]
ChEMBL	Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization	F	8.96	pIC50	1.1	nM	IC50	J Med Chem (2008) 51: 7915-7920 [PMID:19053768]
GtoPdb	-	-	9	pEC50	-	-	-	J Med Chem (2008) 51: 7915-20 [PMID:19053768]
CXCR4/C-X-C chemokine receptor type 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5556] [GtoPdb: 71] [UniProtKB: O08565]
ChEMBL	Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells	B	7.96	pIC50	11	nM	IC50	J Med Chem (2008) 51: 7915-7920 [PMID:19053768]
GtoPdb	-	-	7.96	pIC50	-	-	-	J Med Chem (2008) 51: 7915-20 [PMID:19053768]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL	Inhibition of human recombinant ERG in CHOK1 cells	B	4.7	pIC50	>20000	nM	IC50	J Med Chem (2008) 51: 7915-7920 [PMID:19053768]
ChEMBL	Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells	B	4.88	pIC50	13240	nM	IC50	J Med Chem (2008) 51: 7915-7920 [PMID:19053768]
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547]
ChEMBL	Inhibition of HIV1 3B reverse transcriptase infected in human GHOST CXCR4 cells assessed as reduction in viral replication incubated for 60 to 90 mins in presence of DTT and TTP by liquid scintillation counter	B	7.66	pEC50	22	nM	EC50	ACS Med Chem Lett (2020) 11: 2318-2324 [PMID:33214847]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]