null

SMILES: CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1

InChI Key: InChIKey=BQOXGDSIGCZKCK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 473862   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM473862 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	778	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))	BDBM473862 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	778	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
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473862 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.63E+3	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