BDBM50081176 CHEMBL3421974

SMILES: O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12

InChI Key: InChIKey=XPBRJXPIAAHIDG-UHFFFAOYSA-N

Data: 3 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 = 50081176   

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 tyrosine-regulated kinases 1B (Homo sapiens (Human))	BDBM50081176 (CHEMBL3421974) Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C23H21N5O/c29-23(27-17-3-1-2-4-17)16-7-5-15(6-8-16)22-25-12-10-20(28-22)19-13-26-21-14-24-11-9-18(19)21/h5-14,17,26H,1-4H2,(H,27,29)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50081176 (CHEMBL3421974) Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C23H21N5O/c29-23(27-17-3-1-2-4-17)16-7-5-15(6-8-16)22-25-12-10-20(28-22)19-13-26-21-14-24-11-9-18(19)21/h5-14,17,26H,1-4H2,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substr...				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
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50081176 (CHEMBL3421974) Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C23H21N5O/c29-23(27-17-3-1-2-4-17)16-7-5-15(6-8-16)22-25-12-10-20(28-22)19-13-26-21-14-24-11-9-18(19)21/h5-14,17,26H,1-4H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.77E+4	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