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 = 'BDBM50514222'   

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))	BDBM50514222 (CHEMBL4580244 | US11274105, Example 193) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCS(=O)(=O)CC1)\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:20| Show InChI InChI=1S/C41H56ClN5O9S2/c1-44(2)58(53,54)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(55-20-17-46-18-21-57(51,52)22-19-46)33-12-9-30(33)26-47-27-40(28-56-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	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))	BDBM50514222 (CHEMBL4580244 | US11274105, Example 193) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCS(=O)(=O)CC1)\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:20| Show InChI InChI=1S/C41H56ClN5O9S2/c1-44(2)58(53,54)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(55-20-17-46-18-21-57(51,52)22-19-46)33-12-9-30(33)26-47-27-40(28-56-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,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	0.200	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