BDBM50191922 CHEMBL212299::trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine

SMILES: N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c[nH]c2ncccc12

InChI Key: InChIKey=ADMFLILDQJSEIK-HAQNSBGRSA-N

Data: 1 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 1 hit for monomerid = 50191922   

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 B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50191922 (CHEMBL212299 | trans-N1-(4-(1H-pyrrolo[2,3-b]pyrid...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c[nH]c2ncccc12 |wU:4.7,wD:1.0,(9.38,-13.85,;8.04,-14.6,;6.71,-13.81,;5.36,-14.56,;5.36,-16.1,;6.68,-16.89,;8.01,-16.14,;4,-16.83,;2.69,-16.02,;2.74,-14.49,;1.43,-13.68,;.07,-14.4,;.02,-15.95,;1.34,-16.76,;-1.34,-16.66,;-1.53,-18.19,;-3.05,-18.48,;-3.79,-17.14,;-5.29,-16.76,;-5.71,-15.27,;-4.64,-14.17,;-3.16,-14.54,;-2.74,-16.01,)| Show InChI InChI=1S/C17H20N6/c18-11-3-5-12(6-4-11)22-17-20-9-7-15(23-17)14-10-21-16-13(14)2-1-8-19-16/h1-2,7-12H,3-6,18H2,(H,19,21)(H,20,22,23)/t11-,12-	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB by Flashplate assay				Bioorg Med Chem Lett 16: 4818-21 (2006) Article DOI: 10.1016/j.bmcl.2006.06.073 BindingDB Entry DOI: 10.7270/Q2571BNM
					More data for this Ligand-Target Pair