BDBM50330267 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine::CHEMBL1230170::[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-(5-piperazin-1-yl-pyridin-2-yl)-amine

SMILES: CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

InChI Key: InChIKey=ZGJLAVYYTJNBMN-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches 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 7 hits for monomerid = 50330267   

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))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.44E+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 4 (CDK4) (Homo sapiens (Human))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA relative to total pRb level				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))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.33E+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 2 (CDK2) (Homo sapiens (Human))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50330267 (4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA				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