Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50092203'   

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))	BDBM50092203 (CHEMBL3581279) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)47-29(9-4-18-45-39(41)42)34(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)49-30(37(50)56)22-24-13-16-28(52)17-14-24/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
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