Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 7' and Ligand = 'BDBM50358213'   

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 7 (Homo sapiens (Human))	BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CDK7 in human HT29 cells assessed as reduction in RNA polymerase 2 expression				Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1
					More data for this Ligand-Target Pair