BDBM50459994 CHEMBL4226806

SMILES: N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1

InChI Key: InChIKey=XBJCNHGQFJFCOY-UHFFFAOYSA-N

Data: 2 IC50  4 Kd

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 6 hits for monomerid = 50459994   

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-C (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK8/CCNC (unknown origin) using RBER-IRStide as substrate in presence of [gamma33P]ATP by radiometric method				J Med Chem 61: 5073-5092 (2018) Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B
					More data for this Ligand-Target Pair
CDK-interacting protein 1 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of p21 (unknown origin)-induced transcription in human HT1080 p21-9-CMV-GFP cells after 3 days by fluorescence assay				J Med Chem 61: 5073-5092 (2018) Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076
					More data for this Ligand-Target Pair