BDBM50130048 CHEMBL3629656

SMILES: [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O

InChI Key: InChIKey=OQKABKQHXVJGKK-XCZPVHLTSA-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 = 50130048   

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))	BDBM50130048 (CHEMBL3629656) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H24Cl2N4O7S/c32-23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-26-30(39)36(31(40)34-26)28(17-19-4-2-1-3-5-19)29(38)35-45(43,44)24-14-15-25(33)27(18-24)37(41)42/h1-15,18,26,28H,16-17H2,(H,34,40)(H,35,38)/t26-,28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive binding affinity to Mcl-1 (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by ...				Bioorg Med Chem 23: 7359-65 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9ZD8
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50130048 (CHEMBL3629656) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H24Cl2N4O7S/c32-23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-26-30(39)36(31(40)34-26)28(17-19-4-2-1-3-5-19)29(38)35-45(43,44)24-14-15-25(33)27(18-24)37(41)42/h1-15,18,26,28H,16-17H2,(H,34,40)(H,35,38)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive binding affinity to Bcl-2 (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by ...				Bioorg Med Chem 23: 7359-65 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9ZD8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50130048 (CHEMBL3629656) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H24Cl2N4O7S/c32-23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-26-30(39)36(31(40)34-26)28(17-19-4-2-1-3-5-19)29(38)35-45(43,44)24-14-15-25(33)27(18-24)37(41)42/h1-15,18,26,28H,16-17H2,(H,34,40)(H,35,38)/t26-,28-/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	PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive binding affinity to Bcl-XL (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by...				Bioorg Med Chem 23: 7359-65 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9ZD8
					More data for this Ligand-Target Pair