Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50514206'   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514206 (CHEMBL4588330 | US11274105, Example 187) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:19| Show InChI InChI=1S/C41H54ClF2N5O7S/c1-46(2)57(53,54)45-38(51)41(52)22-37(50)47(3)17-5-4-9-35(55-19-7-18-48-25-40(43,44)26-48)32-13-10-29(32)23-49-24-39(27-56-36-15-11-30(41)21-34(36)49)16-6-8-28-20-31(42)12-14-33(28)39/h4,9,11-12,14-15,20-21,29,32,35,52H,5-8,10,13,16-19,22-27H2,1-3H3,(H,45,51)/b9-4+/t29-,32+,35-,39-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514206 (CHEMBL4588330 | US11274105, Example 187) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:19| Show InChI InChI=1S/C41H54ClF2N5O7S/c1-46(2)57(53,54)45-38(51)41(52)22-37(50)47(3)17-5-4-9-35(55-19-7-18-48-25-40(43,44)26-48)32-13-10-29(32)23-49-24-39(27-56-36-15-11-30(41)21-34(36)49)16-6-8-28-20-31(42)12-14-33(28)39/h4,9,11-12,14-15,20-21,29,32,35,52H,5-8,10,13,16-19,22-27H2,1-3H3,(H,45,51)/b9-4+/t29-,32+,35-,39-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW
					More data for this Ligand-Target Pair