Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 13' and Ligand = 'BDBM50110178'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM50110178 (CHEMBL3603847 | US10787436, Compound I-23) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK13 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00766 BindingDB Entry DOI: 10.7270/Q2GX4G9M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM50110178 (CHEMBL3603847 | US10787436, Compound I-23) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	628	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK13 (unknown origin)				J Med Chem 63: 7458-7474 (2020) Article DOI: 10.1021/acs.jmedchem.9b01985 BindingDB Entry DOI: 10.7270/Q2C82DT8
					More data for this Ligand-Target Pair