Affinity Data by PDB ID

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PDB code 3OE6

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-X-C chemokine receptor type 4 (CXCR4) (98/102 = 96%)^† (Homo sapiens (Human))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 4 (CXCR4) (98/102 = 96%)^† (Homo sapiens (Human))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from CXCR4 in human CEM cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 4 (CXCR4/SDF-1) (200/226 = 88%)^† (Rattus norvegicus (Rat))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES Show InChI	PDB GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output