BDBM50235697 CHEMBL4088617

SMILES: Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21

InChI Key: InChIKey=IUCBNZCMMDEDRD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50235697   

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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50235697 (CHEMBL4088617) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFR-beta phosphorylation in human SF-539 cells preincubated for 60 mins followed by PDGF-BB induction measured after ...				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50235697 (CHEMBL4088617) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR phosphorylation in human A431 cells preincubated for 60 mins followed by EGF induction measured after 10 mins by ELISA				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50235697 (CHEMBL4088617) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50235697 (CHEMBL4088617) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.93E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 phosphorylation in human U251 cells preincubated for 60 mins followed by VEGF induction measured after 10 mins by E...				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II (Rattus norvegicus)	BDBM50235697 (CHEMBL4088617) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair