BDBM4020 2-{[4-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-3-(phenylcarbamoyl)-1H-indol-4-yl acetate::dithiobis(1H-indole-3-carboxamide) deriv. 10e

SMILES: CC(=O)Oc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC(C)=O)cccc4n3C)c(C(=O)Nc3ccccc3)c12

InChI Key: InChIKey=AURYYBJWNGTKQC-UHFFFAOYSA-N

Data: 2 IC50

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 = 4020   

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
Tyrosine-protein kinase transforming protein Src (Avian sarcoma virus)	BDBM4020 (2-{[4-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-...) Show SMILES CC(=O)Oc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC(C)=O)cccc4n3C)c(C(=O)Nc3ccccc3)c12 Show InChI InChI=1S/C36H30N4O6S2/c1-21(41)45-27-19-11-17-25-29(27)31(33(43)37-23-13-7-5-8-14-23)35(39(25)3)47-48-36-32(34(44)38-24-15-9-6-10-16-24)30-26(40(36)4)18-12-20-28(30)46-22(2)42/h5-20H,1-4H3,(H,37,43)(H,38,44)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.5	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 37: 2033-42 (1994) Article DOI: 10.1021/jm00039a016 BindingDB Entry DOI: 10.7270/Q2H41PMC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4020 (2-{[4-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-...) Show SMILES CC(=O)Oc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC(C)=O)cccc4n3C)c(C(=O)Nc3ccccc3)c12 Show InChI InChI=1S/C36H30N4O6S2/c1-21(41)45-27-19-11-17-25-29(27)31(33(43)37-23-13-7-5-8-14-23)35(39(25)3)47-48-36-32(34(44)38-24-15-9-6-10-16-24)30-26(40(36)4)18-12-20-28(30)46-22(2)42/h5-20H,1-4H3,(H,37,43)(H,38,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 37: 2033-42 (1994) Article DOI: 10.1021/jm00039a016 BindingDB Entry DOI: 10.7270/Q2H41PMC
					More data for this Ligand-Target Pair