BindingDB PrimarySearch

null

SMILES: CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N

InChI Key: InChIKey=KGPGFQWBCSZGEL-ZDUSSCGKSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 461 hits for monomerid = 25013
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Homeodomain-interacting protein kinase 1 (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for HIPK1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for FYN kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase NIM1 (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for NIM1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AURKC kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of Akt in human A549 cells after 24 hrs by ELISA				Eur J Med Chem 155: 905-924 (2018) Article DOI: 10.1016/j.ejmech.2018.06.049 BindingDB Entry DOI: 10.7270/Q2RX9FN2
Anadolu University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Rattus norvegicus)	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of Akt in rat C6 cells after 24 hrs by ELISA				Eur J Med Chem 155: 905-924 (2018) Article DOI: 10.1016/j.ejmech.2018.06.049 BindingDB Entry DOI: 10.7270/Q2RX9FN2
Anadolu University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) using biotinylated-STK as substrate after 45 mins by HTRF assay				Eur J Med Chem 138: 543-551 (2017) Article DOI: 10.1016/j.ejmech.2017.06.067 BindingDB Entry DOI: 10.7270/Q2JM2D7N
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TECHNISCHE UNIVERSITÄT DORTMUND US Patent					Assay Description iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...				US Patent US10550114 (2020) BindingDB Entry DOI: 10.7270/Q2DV1N97
TECHNISCHE UNIVERSITÄT DORTMUND US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair

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