BDBM223311 123C4

SMILES: COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1

InChI Key:

Data: 1 KI  10 Kd  9 ITC

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 11 hits for monomerid = 223311   

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 4 ligand binding domain (EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	-8.44	n/a	n/a	n/a	n/a	n/a	7.2	25
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 3 ligand binding domain (EphA3-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.55E+3	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (I59G-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.66E+3	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (I59A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.09E+3	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin receptor (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity to EphA4 ligand binding domain (unknown origin) by ITC				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 4 ligand binding domain (I159A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (M60A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	350	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (M164A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	62	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (D61G/E62G-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 ligand binding domain (I67A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	780	n/a	n/a	n/a	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Assay Description The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...				Cell Chem Biol 24: 293-305 (2017) Article DOI: 10.1016/j.chembiol.2017.01.006 BindingDB Entry DOI: 10.7270/Q2GX49FB
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 223311

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Ephrin type-A receptor 4 ligand binding domain (EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-8.65	2.41	-11.1	6.30	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 3 ligand binding domain (EphA3-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-7.30	-5.76	-1.54	5.32	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (I59G-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-7.36	-1.68	-5.68	5.36	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (I59A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-5.12	-1.68	-3.44	3.73	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (I67A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-8.29	-3.75	-4.54	6.04	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (I159A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-8.86	-0.337	-8.53	6.46	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (M60A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-8.74	1.24	-9.98	6.37	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (M164A-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-10.8	0.358	-11.1	7.86	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)
Ephrin type-A receptor 4 ligand binding domain (D61G/E62G-EphA4-LBD) (Homo sapiens (Human))	BDBM223311 (123C4)	GoogleScholar PDB	PC cid PC sid		-8.77	0.358	-9.12	6.39	6.5	27
Sanford-Burnham-Prebys Medical Discovery Institute					Cell Chem Biol 24: 293-305 (2017)