BDBM50318163 CHEMBL1096972::N-(3-ethynylphenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES: C#Cc1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1

InChI Key: InChIKey=RUBUJOVRIQWQIZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50318163   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50318163 (CHEMBL1096972 | N-(3-ethynylphenyl)-6-(2-phenyleth...) Show SMILES C#Cc1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1 Show InChI InChI=1S/C22H18N4/c1-2-16-9-6-10-18(13-16)25-21-20-14-19(26-22(20)24-15-23-21)12-11-17-7-4-3-5-8-17/h1,3-10,13-15H,11-12H2,(H2,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 20: 3177-81 (2010) Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50318163 (CHEMBL1096972 | N-(3-ethynylphenyl)-6-(2-phenyleth...) Show SMILES C#Cc1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1 Show InChI InChI=1S/C22H18N4/c1-2-16-9-6-10-18(13-16)25-21-20-14-19(26-22(20)24-15-23-21)12-11-17-7-4-3-5-8-17/h1,3-10,13-15H,11-12H2,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta				Bioorg Med Chem Lett 20: 3177-81 (2010) Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50318163 (CHEMBL1096972 | N-(3-ethynylphenyl)-6-(2-phenyleth...) Show SMILES C#Cc1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1 Show InChI InChI=1S/C22H18N4/c1-2-16-9-6-10-18(13-16)25-21-20-14-19(26-22(20)24-15-23-21)12-11-17-7-4-3-5-8-17/h1,3-10,13-15H,11-12H2,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 20: 3177-81 (2010) Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50318163 (CHEMBL1096972 | N-(3-ethynylphenyl)-6-(2-phenyleth...) Show SMILES C#Cc1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1 Show InChI InChI=1S/C22H18N4/c1-2-16-9-6-10-18(13-16)25-21-20-14-19(26-22(20)24-15-23-21)12-11-17-7-4-3-5-8-17/h1,3-10,13-15H,11-12H2,(H2,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR1				Bioorg Med Chem Lett 20: 3177-81 (2010) Article DOI: 10.1016/j.bmcl.2010.03.064 BindingDB Entry DOI: 10.7270/Q23R0T2Z
					More data for this Ligand-Target Pair