Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048955   

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))	BDBM50231393 (CHEMBL4073167) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12 |r| Show InChI InChI=1S/C37H28Cl2N4O6S/c38-28-16-14-27(15-17-28)26-12-10-25(11-13-26)22-42-23-31(30-8-4-5-9-34(30)42)36(44)40-33(20-24-6-2-1-3-7-24)37(45)41-50(48,49)29-18-19-32(39)35(21-29)43(46)47/h1-19,21,23,33H,20,22H2,(H,40,44)(H,41,45)/t33-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...				Bioorg Med Chem 25: 1939-1948 (2017) Article DOI: 10.1016/j.bmc.2017.02.014 BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...				Bioorg Med Chem 25: 1939-1948 (2017) Article DOI: 10.1016/j.bmc.2017.02.014 BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50231392 (CHEMBL4086474) Show SMILES Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C37H30ClN3O4S/c38-30-21-19-29(20-22-30)28-17-15-27(16-18-28)24-41-25-33(32-13-7-8-14-35(32)41)36(42)39-34(23-26-9-3-1-4-10-26)37(43)40-46(44,45)31-11-5-2-6-12-31/h1-22,25,34H,23-24H2,(H,39,42)(H,40,43)/t34-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...				Bioorg Med Chem 25: 1939-1948 (2017) Article DOI: 10.1016/j.bmc.2017.02.014 BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50231391 (CHEMBL4098080) Show SMILES COc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C41H36N4O5S/c1-27-11-21-33(22-12-27)51(48,49)44-41(47)38(23-31-24-42-37-9-5-3-7-34(31)37)43-40(46)36-26-45(39-10-6-4-8-35(36)39)25-28-13-15-29(16-14-28)30-17-19-32(50-2)20-18-30/h3-22,24,26,38,42H,23,25H2,1-2H3,(H,43,46)(H,44,47)/t38-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...				Bioorg Med Chem 25: 1939-1948 (2017) Article DOI: 10.1016/j.bmc.2017.02.014 BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50231390 (CHEMBL4069319) Show SMILES CC(C)C[C@H](NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C34H32ClN3O4S/c1-23(2)20-31(34(40)37-43(41,42)28-8-4-3-5-9-28)36-33(39)30-22-38(32-11-7-6-10-29(30)32)21-24-12-14-25(15-13-24)26-16-18-27(35)19-17-26/h3-19,22-23,31H,20-21H2,1-2H3,(H,36,39)(H,37,40)/t31-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...				Bioorg Med Chem 25: 1939-1948 (2017) Article DOI: 10.1016/j.bmc.2017.02.014 BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair