BDBM50314866 CHEMBL4161959

SMILES: [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C

InChI Key: InChIKey=OTBMTWUPWVANPM-LSYQCDMCSA-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 = 50314866   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50314866 (CHEMBL4161959) Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.46E+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-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
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog (Mus musculus (Mouse))	BDBM50314866 (CHEMBL4161959) Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20E+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-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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50314866 (CHEMBL4161959) Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:1.0,28.31,wD:3.3,9.9,13.12,22.27,c:7,25,(10.46,-2.76,;10.48,-4.31,;9.14,-3.52,;7.81,-4.3,;7.8,-2.76,;6.48,-3.51,;5.15,-4.3,;3.82,-3.53,;5.15,-5.84,;6.48,-6.59,;6.49,-8.13,;5.15,-8.91,;3.82,-8.14,;5.15,-10.45,;3.81,-11.21,;3.81,-12.74,;5.14,-13.52,;6.48,-12.75,;6.49,-11.2,;5.14,-15.06,;3.8,-15.82,;6.47,-15.83,;7.81,-5.84,;9.13,-6.6,;10.47,-5.85,;8.2,-7.31,;7.42,-8.64,;9.74,-7.31,;11.81,-3.54,;11.82,-2,;13.14,-4.32,;14.48,-3.55,;15.81,-4.33,;17.15,-3.57,;18.48,-4.35,;17.16,-2.03,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,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	8.30E+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