BDBM50234950 CHEMBL4059908

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=WCINYUWYVYOZNR-MAAFBQBVSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50234950   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50234950 (CHEMBL4059908) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O3/c1-23(11-16-33(39)38-26(21-34(40)41)20-24-22-37-32-10-5-4-9-27(24)32)29-14-15-30-28-13-12-25-8-6-7-18-35(25,2)31(28)17-19-36(29,30)3/h4-5,9-10,22-23,25-26,28-31,37H,6-8,11-21H2,1-3H3,(H,38,39)(H,40,41)/t23-,25+,26+,28+,29-,30+,31+,35+,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity to EphA2 (unknown origin)				Eur J Med Chem 142: 152-162 (2017) Article DOI: 10.1016/j.ejmech.2017.07.029 BindingDB Entry DOI: 10.7270/Q29026GX
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Mus musculus)	BDBM50234950 (CHEMBL4059908) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O3/c1-23(11-16-33(39)38-26(21-34(40)41)20-24-22-37-32-10-5-4-9-27(24)32)29-14-15-30-28-13-12-25-8-6-7-18-35(25,2)31(28)17-19-36(29,30)3/h4-5,9-10,22-23,25-26,28-31,37H,6-8,11-21H2,1-3H3,(H,38,39)(H,40,41)/t23-,25+,26+,28+,29-,30+,31+,35+,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition ...				J Med Chem 60: 787-796 (2017) BindingDB Entry DOI: 10.7270/Q2R78HHT
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Mus musculus)	BDBM50234950 (CHEMBL4059908) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O3/c1-23(11-16-33(39)38-26(21-34(40)41)20-24-22-37-32-10-5-4-9-27(24)32)29-14-15-30-28-13-12-25-8-6-7-18-35(25,2)31(28)17-19-36(29,30)3/h4-5,9-10,22-23,25-26,28-31,37H,6-8,11-21H2,1-3H3,(H,38,39)(H,40,41)/t23-,25+,26+,28+,29-,30+,31+,35+,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition ...				J Med Chem 60: 787-796 (2017) BindingDB Entry DOI: 10.7270/Q2R78HHT
					More data for this Ligand-Target Pair