Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50263974'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50263974 (CHEMBL4063593) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C38H47N9O7/c1-46-31(21-32(39)49)35(52)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)37(54)47-17-5-9-30(47)34(51)44-28(19-22-11-14-26(48)15-12-22)33(50)43-27(36(46)53)8-4-16-42-38(40)41/h2-3,6-7,10-15,18,27-31,48H,4-5,8-9,16-17,19-21H2,1H3,(H2,39,49)(H,43,50)(H,44,51)(H,45,52)(H4,40,41,42)/t27-,28+,29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
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