Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM473868'   

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))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair