BDBM50455463 CHEMBL215205

SMILES: Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1

InChI Key: InChIKey=AYZRKFOEZQBUEA-OUKQBFOZSA-N

Data: 7 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 9 hits for monomerid = 50455463   

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))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK2/cyclin A using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 15 mins by fluorescence assay relative to cont...				Bioorg Med Chem Lett 28: 1386-1391 (2018) Article DOI: 10.1016/j.bmcl.2018.02.054 BindingDB Entry DOI: 10.7270/Q2MP55V8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin T1 using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 90 mins by fluorescence assay relative to con...				Bioorg Med Chem Lett 28: 1386-1391 (2018) Article DOI: 10.1016/j.bmcl.2018.02.054 BindingDB Entry DOI: 10.7270/Q2MP55V8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack� University Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) expressed in baculovirus infected Sf9 cells				Bioorg Med Chem 23: 1975-81 (2015) Article DOI: 10.1016/j.bmc.2015.03.025 BindingDB Entry DOI: 10.7270/Q21V5HZ6
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack� University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf9 cells				Bioorg Med Chem 23: 1975-81 (2015) Article DOI: 10.1016/j.bmc.2015.03.025 BindingDB Entry DOI: 10.7270/Q21V5HZ6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack� University Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclin H (unknown origin) expressed in baculovirus infected Sf9 cells				Bioorg Med Chem 23: 1975-81 (2015) Article DOI: 10.1016/j.bmc.2015.03.025 BindingDB Entry DOI: 10.7270/Q21V5HZ6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Palack� University Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) expressed in baculovirus infected Sf9 cells				Bioorg Med Chem 23: 1975-81 (2015) Article DOI: 10.1016/j.bmc.2015.03.025 BindingDB Entry DOI: 10.7270/Q21V5HZ6
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50455463 (CHEMBL215205) Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1 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)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack� University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B (unknown origin) expressed in baculovirus infected Sf9 cells				Bioorg Med Chem 23: 1975-81 (2015) Article DOI: 10.1016/j.bmc.2015.03.025 BindingDB Entry DOI: 10.7270/Q21V5HZ6
					More data for this Ligand-Target Pair