BDBM50431334 CHEMBL2348848

SMILES: CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1

InChI Key: InChIKey=PHDVEAVKGNZPQH-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50431334   

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))	BDBM50431334 (CHEMBL2348848) Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1 Show InChI InChI=1S/C22H27N7S/c1-23-22-28-19(15-6-7-15)20(30-22)18-8-10-25-21(27-18)26-16-4-2-5-17(14-16)29-12-3-9-24-11-13-29/h2,4-5,8,10,14-15,24H,3,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50431334 (CHEMBL2348848) Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1 Show InChI InChI=1S/C22H27N7S/c1-23-22-28-19(15-6-7-15)20(30-22)18-8-10-25-21(27-18)26-16-4-2-5-17(14-16)29-12-3-9-24-11-13-29/h2,4-5,8,10,14-15,24H,3,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50431334 (CHEMBL2348848) Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1 Show InChI InChI=1S/C22H27N7S/c1-23-22-28-19(15-6-7-15)20(30-22)18-8-10-25-21(27-18)26-16-4-2-5-17(14-16)29-12-3-9-24-11-13-29/h2,4-5,8,10,14-15,24H,3,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50431334 (CHEMBL2348848) Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1 Show InChI InChI=1S/C22H27N7S/c1-23-22-28-19(15-6-7-15)20(30-22)18-8-10-25-21(27-18)26-16-4-2-5-17(14-16)29-12-3-9-24-11-13-29/h2,4-5,8,10,14-15,24H,3,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	464	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair