Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50018659   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50610869 (CHEMBL5288938) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50610869 (CHEMBL5288938) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398379 (CHEMBL2177390 | US10550114, Compound GDC-0068 | US...) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50610869 (CHEMBL5288938) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398379 (CHEMBL2177390 | US10550114, Compound GDC-0068 | US...) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398379 (CHEMBL2177390 | US10550114, Compound GDC-0068 | US...) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein cereblon (Homo sapiens (Human))	BDBM50610870 (CHEMBL5272173) Show SMILES CC(C)Nc1cc(ccc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(-14.01,4.43,;-12.49,4.7,;-11.97,6.15,;-11.5,3.52,;-12.03,2.08,;-13.54,1.81,;-14.07,.36,;-13.08,-.82,;-11.56,-.55,;-11.04,.9,;-9.52,1.17,;-9,2.61,;-8.53,-.01,;-7.01,.26,;-6.49,1.7,;-4.97,1.97,;-3.98,.79,;-4.51,-.65,;-6.02,-.92,;-2.49,1.19,;-2.09,2.68,;-1.4,.1,;.08,.5,;1.17,-.59,;2.66,-.19,;3.75,-1.28,;5.24,-.88,;6.33,-1.97,;7.82,-1.57,;8.91,-2.66,;8.21,-.08,;9.7,.32,;10.1,1.81,;9.01,2.89,;9.41,4.38,;10.9,4.78,;11.99,3.69,;13.56,3.77,;14.33,5.1,;14.1,2.36,;15.58,1.97,;16.67,3.05,;18.16,2.66,;18.56,1.17,;20.05,.77,;17.47,.08,;15.98,.48,;14.89,-.61,;12.89,1.39,;12.89,-.15,;11.6,2.21,;-15.59,.09,;-16.69,1.16,;-18.05,.44,;-17.79,-1.08,;-18.73,-2.29,;-18.15,-3.72,;-16.63,-3.93,;-15.68,-2.72,;-16.26,-1.29,;-19.1,-4.94,;-20.05,-6.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair