BDBM50330279 CHEMBL1271842::[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-(6-piperazin-1-yl-pyridazin-3-yl)-amine

SMILES: CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1

InChI Key: InChIKey=KHGITEBUGKISDS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50330279   

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/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50330279 (CHEMBL1271842 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1 Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-5-6-21-18(22-12)23-13-3-4-14(25-24-13)28-9-7-20-8-10-28/h3-6,11,20H,7-10H2,1-2H3,(H,26,27)(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50330279 (CHEMBL1271842 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1 Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-5-6-21-18(22-12)23-13-3-4-14(25-24-13)28-9-7-20-8-10-28/h3-6,11,20H,7-10H2,1-2H3,(H,26,27)(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50330279 (CHEMBL1271842 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1 Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-5-6-21-18(22-12)23-13-3-4-14(25-24-13)28-9-7-20-8-10-28/h3-6,11,20H,7-10H2,1-2H3,(H,26,27)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
					More data for this Ligand-Target Pair