BDBM50449544 CHEMBL4160544

SMILES: CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1

InChI Key: InChIKey=AJLZQJOCQFFRQL-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 = 50449544   

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
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50449544 (CHEMBL4160544) Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1 Show InChI InChI=1S/C26H32N8OS/c1-16(2)22-13-20-24(28-17(3)29-26(20)36-22)31-21-14-27-32-23(21)25(35)30-19-7-5-18(6-8-19)15-34-11-9-33(4)10-12-34/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,32)(H,30,35)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin) by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50449544 (CHEMBL4160544) Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1 Show InChI InChI=1S/C26H32N8OS/c1-16(2)22-13-20-24(28-17(3)29-26(20)36-22)31-21-14-27-32-23(21)25(35)30-19-7-5-18(6-8-19)15-34-11-9-33(4)10-12-34/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,32)(H,30,35)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449544 (CHEMBL4160544) Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1 Show InChI InChI=1S/C26H32N8OS/c1-16(2)22-13-20-24(28-17(3)29-26(20)36-22)31-21-14-27-32-23(21)25(35)30-19-7-5-18(6-8-19)15-34-11-9-33(4)10-12-34/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,32)(H,30,35)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair