BDBM6626 1-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl]-3-1H-pyrazol-3-ylurea::N-[(9bR)-5-Oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]-isoindol-9-yl]-N -(1H-pyrazol-3-yl)urea::pyrazole-3-yl urea deriv. 2a

SMILES: O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@@H]3c12

InChI Key: InChIKey=YJZMVKNIYBWAKD-LLVKDONJSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 6626   

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 4 (CDK4) (Homo sapiens (Human))	BDBM6626 (1-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
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