BDBM50248767 1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-chloroethanone::CHEMBL515416

SMILES: Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12

InChI Key: InChIKey=PELFTNQHGSITLB-UHFFFAOYSA-N

Data: 1 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 = 50248767   

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
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50248767 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C18H19ClN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of wild type FYN (unknown origin) expressed in Escherichia coli				Science 308: 1318-21 (2005) Article DOI: 10.1126/science1108367 BindingDB Entry DOI: 10.7270/Q20G3JX9
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50248767 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C18H19ClN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50248767 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C18H19ClN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair