BDBM50314859 CHEMBL4169123

SMILES: [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O

InChI Key: InChIKey=XQVPWPPXHFBKEB-DFLLQORBSA-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 = 50314859   

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 homolog (Mus musculus (Mouse))	BDBM50314859 (CHEMBL4169123) Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay				Eur J Med Chem 148: 26-38 (2018) Article DOI: 10.1016/j.ejmech.2018.01.100 BindingDB Entry DOI: 10.7270/Q2DF6TRW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50314859 (CHEMBL4169123) Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay				Eur J Med Chem 148: 26-38 (2018) Article DOI: 10.1016/j.ejmech.2018.01.100 BindingDB Entry DOI: 10.7270/Q2DF6TRW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50314859 (CHEMBL4169123) Show SMILES [H][C@]12C[C@H](CCOC(=O)Nc3ccc(Br)cc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(O)=O)C=C(C)C2)C(O)=O |r,c:18,t:36| Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay				Eur J Med Chem 148: 26-38 (2018) Article DOI: 10.1016/j.ejmech.2018.01.100 BindingDB Entry DOI: 10.7270/Q2DF6TRW
					More data for this Ligand-Target Pair