BDBM7126 3-Propylaminopyrazole deriv. 3::CHEMBL112442::CS2::N-(5-Cyclopropyl-1H-pyrazol-3-yl)butanamide

SMILES: CCCC(=O)Nc1cc([nH]n1)C1CC1

InChI Key: InChIKey=KPQLRNNPRYBTLP-UHFFFAOYSA-N

Data: 2 IC50  7 Kd  2 K_off  2 K_on  2 ITC

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 13 hits for monomerid = 7126   

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 (CDK2) (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	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	224	n/a	n/a	n/a	n/a	7.4	22
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	4.23E+3	n/a	n/a	n/a	7.5	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.84E+3	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	3.97E+3	n/a	n/a	n/a	7.5	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	537	n/a	n/a	n/a	7.5	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology (CSIR) Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin)				Eur J Med Chem 43: 2807-18 (2008) Article DOI: 10.1016/j.ejmech.2007.10.016 BindingDB Entry DOI: 10.7270/Q2MP5324
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	n/a	n/a	n/a	n/a	4.68E+6	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	n/a	n/a	n/a	1.04	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	n/a	n/a	n/a	n/a	2.22E+5	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	n/a	n/a	n/a	0.381	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...) Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method2				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 7126

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-8.55	1.64	-10.2	6.28	n/a	24.9
D3R					D3R 219: (2015)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7126 (3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-7.33	1.43	-8.77	5.38	n/a	24.9
D3R					D3R 220: (2015)