Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1/2' and Ligand = 'BDBM50214175'   

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
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50214175 (CHEMBL410027) Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O Show InChI InChI=1S/C75H107N17O26S/c1-37(2)29-46(80-40(5)95)65(108)86-49(32-56(76)97)67(110)85-48(30-41-13-8-7-9-14-41)70(113)89-61(39(4)94)72(115)78-35-57(98)81-45(24-28-119-6)73(116)92-27-12-17-55(92)75(118)91-26-11-16-54(91)71(114)79-38(3)63(106)83-50(33-59(101)102)68(111)82-44(22-23-58(99)100)64(107)87-51(34-60(103)104)69(112)84-47(31-42-18-20-43(96)21-19-42)66(109)88-52(36-93)74(117)90-25-10-15-53(90)62(77)105/h7-9,13-14,18-21,37-39,44-55,61,93-94,96H,10-12,15-17,22-36H2,1-6H3,(H2,76,97)(H2,77,105)(H,78,115)(H,79,114)(H,80,95)(H,81,98)(H,82,111)(H,83,106)(H,84,112)(H,85,110)(H,86,108)(H,87,107)(H,88,109)(H,89,113)(H,99,100)(H,101,102)(H,103,104)/t38-,39+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against interleukin-8 receptor using [125I]IL8				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55QP3
					More data for this Ligand-Target Pair