BDBM50231392 CHEMBL4086474

SMILES: Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1

InChI Key: InChIKey=OOVAAFLATYDMLI-UMSFTDKQSA-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 = 50231392   

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))	BDBM50231392 (CHEMBL4086474) Show SMILES Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C37H30ClN3O4S/c38-30-21-19-29(20-22-30)28-17-15-27(16-18-28)24-41-25-33(32-13-7-8-14-35(32)41)36(42)39-34(23-26-9-3-1-4-10-26)37(43)40-46(44,45)31-11-5-2-6-12-31/h1-22,25,34H,23-24H2,(H,39,42)(H,40,43)/t34-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	490	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))	BDBM50231392 (CHEMBL4086474) Show SMILES Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C37H30ClN3O4S/c38-30-21-19-29(20-22-30)28-17-15-27(16-18-28)24-41-25-33(32-13-7-8-14-35(32)41)36(42)39-34(23-26-9-3-1-4-10-26)37(43)40-46(44,45)31-11-5-2-6-12-31/h1-22,25,34H,23-24H2,(H,39,42)(H,40,43)/t34-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	740	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))	BDBM50231392 (CHEMBL4086474) Show SMILES Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C37H30ClN3O4S/c38-30-21-19-29(20-22-30)28-17-15-27(16-18-28)24-41-25-33(32-13-7-8-14-35(32)41)36(42)39-34(23-26-9-3-1-4-10-26)37(43)40-46(44,45)31-11-5-2-6-12-31/h1-22,25,34H,23-24H2,(H,39,42)(H,40,43)/t34-/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	PubMed	2.10E+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