BDBM50278834 CHEMBL524998::N-((S)-1-amino-3-(4-methoxyphenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

SMILES: COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1

InChI Key: InChIKey=NFDAXVLLAADPOQ-AWEZNQCLSA-N

Data: 1 KI  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 5 hits for monomerid = 50278834   

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
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50278834 (CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...) Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1 |r| Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of AKT2				Bioorg Med Chem Lett 19: 2244-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.094 BindingDB Entry DOI: 10.7270/Q24X57PX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50278834 (CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...) Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1 |r| Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of AKT2				Bioorg Med Chem Lett 19: 2244-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.094 BindingDB Entry DOI: 10.7270/Q24X57PX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50278834 (CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...) Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1 |r| Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of AKT1				Bioorg Med Chem Lett 19: 2244-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.094 BindingDB Entry DOI: 10.7270/Q24X57PX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50278834 (CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...) Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1 |r| Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of AKT1				Bioorg Med Chem Lett 19: 2244-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.094 BindingDB Entry DOI: 10.7270/Q24X57PX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50278834 (CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...) Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1 |r| Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of AKT3				Bioorg Med Chem Lett 19: 2244-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.094 BindingDB Entry DOI: 10.7270/Q24X57PX
					More data for this Ligand-Target Pair