BDBM12028 4-Arylazo-3,5-diamino-1H-pyrazole 31b::4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol::CAN508

SMILES: Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1

InChI Key: InChIKey=AYZRKFOEZQBUEA-UHFFFAOYSA-N

Data: 2 KI  11 IC50

PDB links: 4 PDB IDs match 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 13 hits for monomerid = 12028   

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 9 (CDK9) (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.2	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR and Palacky University					Assay Description Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.				Chem Biol Drug Des 84: 402-8 (2014) Article DOI: 10.1111/cbdd.12330 BindingDB Entry DOI: 10.7270/Q28C9TXB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR and Palacky University					Assay Description Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.				Chem Biol Drug Des 84: 402-8 (2014) Article DOI: 10.1111/cbdd.12330 BindingDB Entry DOI: 10.7270/Q28C9TXB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR and Palacky University					Assay Description Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.				Chem Biol Drug Des 84: 402-8 (2014) Article DOI: 10.1111/cbdd.12330 BindingDB Entry DOI: 10.7270/Q28C9TXB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR and Palacky University					Assay Description Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.				Chem Biol Drug Des 84: 402-8 (2014) Article DOI: 10.1111/cbdd.12330 BindingDB Entry DOI: 10.7270/Q28C9TXB
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.2	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	7.2	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR and Palacky University					Assay Description Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.				Chem Biol Drug Des 84: 402-8 (2014) Article DOI: 10.1111/cbdd.12330 BindingDB Entry DOI: 10.7270/Q28C9TXB
					More data for this Ligand-Target Pair