BDBM5632 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(propan-2-yl)-2H,4H-indeno[1,2-c]pyrazol-5-yl]acetamide::3-Isopropyl-5-(4-(aminomethyl)piperidinoacetamido)indeno[1,2-c]pyrazol-4-one::Indenopyrazole 13o

SMILES: CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12

InChI Key: InChIKey=RABZCZVASTTWML-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 5632   

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 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5632 (2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(prop...) Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12 Show InChI InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5632 (2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(prop...) Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12 Show InChI InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair