BDBM50322397 (S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-4-chlorobenzamide::CHEMBL1170446

SMILES: CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12

InChI Key: InChIKey=XDBJHHAFLGPGOE-FQEVSTJZSA-N

Data: 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 2 hits for monomerid = 50322397   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322397 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r| Show InChI InChI=1S/C20H23ClN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1-mediated GSK3alpha phosphorylation in human U87 cells after 1 hr by ELISA				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322397 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r| Show InChI InChI=1S/C20H23ClN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair