BDBM6628 1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-3-[5-(pyrrolidin-1-ylmethyl)-1H-pyrazol-3-yl]urea::5-alkylaminomethyl pyrazole-3-yl urea deriv. 9g::N-(5-Oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl)-N -[5-(pyrrolidin-1-ylmethyl)-1H-pyrazol-3-yl]-urea

SMILES: O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12

InChI Key: InChIKey=ZCRJVXDJCMBFCS-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 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 2 hits for monomerid = 6628   

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/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6628 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C20H24N6O2/c27-19-14-5-3-6-15(18(14)16-7-4-10-26(16)19)21-20(28)22-17-11-13(23-24-17)12-25-8-1-2-9-25/h3,5-6,11,16H,1-2,4,7-10,12H2,(H3,21,22,23,24,28)	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	470	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
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6628 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C20H24N6O2/c27-19-14-5-3-6-15(18(14)16-7-4-10-26(16)19)21-20(28)22-17-11-13(23-24-17)12-25-8-1-2-9-25/h3,5-6,11,16H,1-2,4,7-10,12H2,(H3,21,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	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
					More data for this Ligand-Target Pair				3D Structure (docked)