BDBM50519043 CHEMBL4443008

SMILES: CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Br)c1C

InChI Key: InChIKey=HYLWUCILYIJCNJ-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 50519043   

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))	BDBM50519043 (CHEMBL4443008) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Br)c1C |r,wU:10.10,(17.07,-14.5,;16.3,-13.16,;14.76,-13.16,;13.86,-14.41,;12.4,-13.94,;11.06,-14.71,;9.72,-13.94,;9.72,-12.4,;11.06,-11.63,;11.06,-10.09,;9.72,-9.32,;9.72,-7.78,;8.38,-7.01,;8.39,-5.47,;7.06,-4.71,;5.72,-5.48,;5.73,-7.03,;7.07,-7.79,;8.39,-10.09,;7.06,-9.33,;8.39,-11.63,;12.4,-12.39,;13.86,-11.92,;14.33,-10.45,;13.3,-9.32,;13.77,-7.86,;15.28,-7.53,;16.31,-8.67,;17.82,-8.34,;15.84,-10.13,;16.88,-11.28,)| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519043 (CHEMBL4443008) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Br)c1C |r,wU:10.10,(17.07,-14.5,;16.3,-13.16,;14.76,-13.16,;13.86,-14.41,;12.4,-13.94,;11.06,-14.71,;9.72,-13.94,;9.72,-12.4,;11.06,-11.63,;11.06,-10.09,;9.72,-9.32,;9.72,-7.78,;8.38,-7.01,;8.39,-5.47,;7.06,-4.71,;5.72,-5.48,;5.73,-7.03,;7.07,-7.79,;8.39,-10.09,;7.06,-9.33,;8.39,-11.63,;12.4,-12.39,;13.86,-11.92,;14.33,-10.45,;13.3,-9.32,;13.77,-7.86,;15.28,-7.53,;16.31,-8.67,;17.82,-8.34,;15.84,-10.13,;16.88,-11.28,)| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
					More data for this Ligand-Target Pair