BDBM50081173 CHEMBL3421972

SMILES: COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12

InChI Key: InChIKey=FTZQWKAIKYEWPM-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50081173   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50081173 (CHEMBL3421972) Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human wild-type TTK (514 to 795) expressed in insect sf9 cells				J Med Chem 58: 2834-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00098 BindingDB Entry DOI: 10.7270/Q23B61VW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50081173 (CHEMBL3421972) Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shif...				J Med Chem 58: 2834-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00098 BindingDB Entry DOI: 10.7270/Q23B61VW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual-specificity tyrosine-regulated kinases 1B (Homo sapiens (Human))	BDBM50081173 (CHEMBL3421972) Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins				J Med Chem 58: 2834-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00098 BindingDB Entry DOI: 10.7270/Q23B61VW
					More data for this Ligand-Target Pair