BindingDB PrimarySearch

BDBM43866 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide::2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide::2-amino-N,N''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide::2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide::2-amino-N,N'-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide::2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide::DACTINOMYCIN::Glycopeptide, 4a::MLS001424196::SMR000469227::cid_457193

SMILES: CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O

InChI Key: InChIKey=RJURFGZVJUQBHK-IIXSONLDSA-N

Data: 1 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 43866
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Oligosaccharyl transferase (OT) (Saccharomyces cerevisiae (Baker's yeast))	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	41	-9.23	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
Massachusetts Institute of Technology					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QN6558
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology and Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				Eur J Med Chem 69: 356-64 (2013) Article DOI: 10.1016/j.ejmech.2013.08.036 BindingDB Entry DOI: 10.7270/Q2H996NS
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-1-induced DDR2 tyrosine phosphorylation pre-incubated for 30 min...				J Med Chem 58: 3287-301 (2015) Article DOI: 10.1021/jm5012319 BindingDB Entry DOI: 10.7270/Q2DV1MMV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase by high throughput screening method				Bioorg Med Chem Lett 21: 3943-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.021 BindingDB Entry DOI: 10.7270/Q2X63N93
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of GST-Grb2 Tyrosine kinase SH2 domain binding to [3H]labeled-phosphopeptide (Ac-SpYVNK-NH-C(O)-CH2CH2H3)				Bioorg Med Chem Lett 8: 2001-2 (1999) BindingDB Entry DOI: 10.7270/Q29K4BQB
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2VD6WW6
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta' (Escherichia coli K-12)	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA-dependent RNA polymerase				J Med Chem 22: 1051-5 (1979) BindingDB Entry DOI: 10.7270/Q2SQ91WG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair