BDBM50362145 CHEMBL1940664

SMILES: CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=KYPRCPIEBXYIAR-VWLOTQADSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50362145   

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))	BDBM50362145 (CHEMBL1940664) Show SMILES CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S3/c1-19(34)30-25(14-16-41-2)28(36)31-21-10-8-20(9-11-21)27(35)32-43(39,40)23-12-13-24(26(18-23)33(37)38)29-15-17-42-22-6-4-3-5-7-22/h3-13,18,25,29H,14-17H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to Mcl-1 by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 39-44 (2011) Article DOI: 10.1016/j.bmcl.2011.11.101 BindingDB Entry DOI: 10.7270/Q2MG7PX2
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50362145 (CHEMBL1940664) Show SMILES CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S3/c1-19(34)30-25(14-16-41-2)28(36)31-21-10-8-20(9-11-21)27(35)32-43(39,40)23-12-13-24(26(18-23)33(37)38)29-15-17-42-22-6-4-3-5-7-22/h3-13,18,25,29H,14-17H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 39-44 (2011) Article DOI: 10.1016/j.bmcl.2011.11.101 BindingDB Entry DOI: 10.7270/Q2MG7PX2
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50362145 (CHEMBL1940664) Show SMILES CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S3/c1-19(34)30-25(14-16-41-2)28(36)31-21-10-8-20(9-11-21)27(35)32-43(39,40)23-12-13-24(26(18-23)33(37)38)29-15-17-42-22-6-4-3-5-7-22/h3-13,18,25,29H,14-17H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 39-44 (2011) Article DOI: 10.1016/j.bmcl.2011.11.101 BindingDB Entry DOI: 10.7270/Q2MG7PX2
					More data for this Ligand-Target Pair