BDBM50519058 CHEMBL4473708

SMILES: CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C

InChI Key: InChIKey=GJAONYLLHONJCI-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 = 50519058   

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))	BDBM50519058 (CHEMBL4473708) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(41.11,-47.36,;40.34,-46.02,;38.8,-46.03,;37.9,-47.27,;36.43,-46.8,;35.1,-47.58,;33.76,-46.81,;33.76,-45.26,;35.09,-44.49,;35.09,-42.95,;33.76,-42.18,;33.75,-40.64,;32.42,-39.88,;32.42,-38.33,;31.09,-37.57,;29.76,-38.34,;29.76,-39.89,;31.1,-40.65,;32.42,-42.96,;31.09,-42.19,;32.43,-44.5,;36.43,-45.25,;37.9,-44.78,;38.36,-43.31,;37.34,-42.18,;37.8,-40.72,;39.32,-40.39,;40.35,-41.53,;39.88,-43,;40.91,-44.14,)| Show InChI InChI=1S/C24H22N2O3S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)29-18(24(27)28)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,27,28)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	890	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))	BDBM50519058 (CHEMBL4473708) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(41.11,-47.36,;40.34,-46.02,;38.8,-46.03,;37.9,-47.27,;36.43,-46.8,;35.1,-47.58,;33.76,-46.81,;33.76,-45.26,;35.09,-44.49,;35.09,-42.95,;33.76,-42.18,;33.75,-40.64,;32.42,-39.88,;32.42,-38.33,;31.09,-37.57,;29.76,-38.34,;29.76,-39.89,;31.1,-40.65,;32.42,-42.96,;31.09,-42.19,;32.43,-44.5,;36.43,-45.25,;37.9,-44.78,;38.36,-43.31,;37.34,-42.18,;37.8,-40.72,;39.32,-40.39,;40.35,-41.53,;39.88,-43,;40.91,-44.14,)| Show InChI InChI=1S/C24H22N2O3S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)29-18(24(27)28)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,27,28)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+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