BDBM50231393 CHEMBL4073167

SMILES: [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12

InChI Key: InChIKey=AZRHKOKLZALSIL-XIFFEERXSA-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 = 50231393   

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))	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	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) BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	260	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 Bcl2 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...				Bioorg Med Chem 25: 1939-1948 (2017) BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Bcl-2-like protein 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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	710	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 Bcl-XL (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled B...				Bioorg Med Chem 25: 1939-1948 (2017) BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair