BDBM50231390 CHEMBL4069319

SMILES: CC(C)C[C@H](NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=BTRVPFGYGJVUQU-HKBQPEDESA-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 = 50231390   

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))	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	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) BindingDB Entry DOI: 10.7270/Q2765HKK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	920	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))	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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.20E+3	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