Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 4' and Ligand = 'BDBM50535192'   

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
Ephrin type-A receptor 4 (Homo sapiens (Human))	BDBM50535192 (CHEMBL4458170) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN |r| Show InChI InChI=1S/C59H82N16O15S2/c1-31(2)49-58(90)71-41(24-33-13-17-36(79)18-14-33)53(85)69-39(9-6-21-65-59(62)63)51(83)64-22-19-48(81)68-43(27-76)55(87)70-42(25-34-26-66-38-8-4-3-7-37(34)38)54(86)72-44(28-77)56(88)73-45(50(61)82)29-91-92-30-46(57(89)75-49)74-52(84)40(67-47(80)10-5-20-60)23-32-11-15-35(78)16-12-32/h3-4,7-8,11-18,26,31,39-46,49,66,76-79H,5-6,9-10,19-25,27-30,60H2,1-2H3,(H2,61,82)(H,64,83)(H,67,80)(H,68,81)(H,69,85)(H,70,87)(H,71,90)(H,72,86)(H,73,88)(H,74,84)(H,75,89)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by...				ACS Med Chem Lett 7: 841-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00132 BindingDB Entry DOI: 10.7270/Q2TT4VF1
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