BDBM50001535 CHEMBL3237450

SMILES: O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12

InChI Key: InChIKey=XMWHZKQZVIMLTH-SAABIXHNSA-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 = 50001535   

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 1 (CDK1) (Homo sapiens (Human))	BDBM50001535 (CHEMBL3237450) Show SMILES O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)| Show InChI InChI=1S/C24H28N8O/c33-18-4-1-16(2-5-18)32-21-15-26-8-7-19(21)20-14-28-24(30-23(20)32)29-22-6-3-17(13-27-22)31-11-9-25-10-12-31/h3,6-8,13-16,18,25,33H,1-2,4-5,9-12H2,(H,27,28,29,30)/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50001535 (CHEMBL3237450) Show SMILES O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)| Show InChI InChI=1S/C24H28N8O/c33-18-4-1-16(2-5-18)32-21-15-26-8-7-19(21)20-14-28-24(30-23(20)32)29-22-6-3-17(13-27-22)31-11-9-25-10-12-31/h3,6-8,13-16,18,25,33H,1-2,4-5,9-12H2,(H,27,28,29,30)/t16-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50001535 (CHEMBL3237450) Show SMILES O[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(9.78,-56.01,;9.31,-54.55,;10.34,-53.41,;9.88,-51.94,;8.38,-51.63,;7.35,-52.76,;7.81,-54.22,;7.91,-50.17,;8.82,-48.92,;10.35,-48.76,;10.98,-47.35,;10.07,-46.1,;8.54,-46.26,;7.92,-47.66,;6.44,-48.14,;5.1,-47.37,;3.77,-48.15,;3.78,-49.68,;2.45,-50.46,;2.45,-52,;3.79,-52.76,;3.8,-54.31,;2.46,-55.09,;1.12,-54.32,;1.12,-52.77,;2.46,-56.63,;1.12,-57.4,;1.11,-58.93,;2.44,-59.71,;3.78,-58.94,;3.79,-57.4,;5.11,-50.45,;6.44,-49.69,)| Show InChI InChI=1S/C24H28N8O/c33-18-4-1-16(2-5-18)32-21-15-26-8-7-19(21)20-14-28-24(30-23(20)32)29-22-6-3-17(13-27-22)31-11-9-25-10-12-31/h3,6-8,13-16,18,25,33H,1-2,4-5,9-12H2,(H,27,28,29,30)/t16-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay				J Med Chem 57: 3430-49 (2014) Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4
					More data for this Ligand-Target Pair