null

SMILES: CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F

InChI Key:

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50583918   

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/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50583918 (CHEMBL4791134) Show SMILES CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Molecular Design, Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay				J Med Chem 47: 4818-28 (2004) Article DOI: 10.1021/acs.jmedchem.1c01171 BindingDB Entry DOI: 10.7270/Q2736VSR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50583918 (CHEMBL4791134) Show SMILES CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Molecular Design, Inc. Curated by ChEMBL					Assay Description Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay				J Med Chem 47: 4818-28 (2004) Article DOI: 10.1021/acs.jmedchem.1c01171 BindingDB Entry DOI: 10.7270/Q2736VSR
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50583918 (CHEMBL4791134) Show SMILES CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Molecular Design, Inc. Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay				J Med Chem 47: 4818-28 (2004) Article DOI: 10.1021/acs.jmedchem.1c01171 BindingDB Entry DOI: 10.7270/Q2736VSR
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50583918 (CHEMBL4791134) Show SMILES CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Molecular Design, Inc. Curated by ChEMBL					Assay Description Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...				J Med Chem 47: 4818-28 (2004) Article DOI: 10.1021/acs.jmedchem.1c01171 BindingDB Entry DOI: 10.7270/Q2736VSR
					More data for this Ligand-Target Pair