BDBM94041 (2S)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methyl-valeric acid::(2S)-4-methyl-2-[3-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid::(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid::(2S)-4-methyl-2-[[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]pentanoic acid::MLS001214755::SMR000543474::cid_1756351

SMILES: CC(C)C[C@H](NC(=O)CCc1c(C)c2cc3c4CCCCc4oc3cc2oc1=O)C(O)=O

InChI Key: InChIKey=MCSJIJZKLQXAGC-IBGZPJMESA-N

Data: 1 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 1 hit for monomerid = 94041   

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
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM94041 ((2S)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzo...) Show SMILES CC(C)C[C@H](NC(=O)CCc1c(C)c2cc3c4CCCCc4oc3cc2oc1=O)C(O)=O Show InChI InChI=1S/C25H29NO6/c1-13(2)10-19(24(28)29)26-23(27)9-8-15-14(3)17-11-18-16-6-4-5-7-20(16)31-22(18)12-21(17)32-25(15)30/h11-13,19H,4-10H2,1-3H3,(H,26,27)(H,28,29)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2WS8RVZ
					More data for this Ligand-Target Pair