BDBM10131 9-fluoro-5-(1H-pyrrol-2-yl)-7-[(3S)-pyrrolidin-3-ylsulfanyl]-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-3-one::trisubstituted naphthostyril analogue 8d

SMILES: Fc1ccc2NC(=O)c3c(cc(S[C@H]4CCNC4)c1c23)-c1ccc[nH]1

InChI Key: InChIKey=UZVLKAPGUJAQCL-JTQLQIEISA-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 = 10131   

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
CDK2/CycE (Homo sapiens (Human))	BDBM10131 (9-fluoro-5-(1H-pyrrol-2-yl)-7-[(3S)-pyrrolidin-3-y...) Show SMILES Fc1ccc2NC(=O)c3c(cc(S[C@H]4CCNC4)c1c23)-c1ccc[nH]1 |r| Show InChI InChI=1S/C19H16FN3OS/c20-12-3-4-14-18-16(19(24)23-14)11(13-2-1-6-22-13)8-15(17(12)18)25-10-5-7-21-9-10/h1-4,6,8,10,21-22H,5,7,9H2,(H,23,24)/t10-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair