BDBM50050431 (-)-calanolide B::(10S,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6H,10H-dipyrano[2,3-f;2',3'-h]chromen-2-one::CHEMBL7187::COSTATOLIDE

SMILES: CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)[C@H](C)Oc3c3C=CC(C)(C)Oc3c12

InChI Key: InChIKey=NIDRYBLTWYFCFV-PZROIBLQSA-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 = 50050431   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50050431 ((-)-calanolide B | (10S,11R,12S)-12-Hydroxy-6,6,10...) Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)[C@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
MediChem Research, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against RNA-dependent DNA polymerase(RDDP) of HIV-1 RT Nucleic Acid polymerase				J Med Chem 39: 1303-13 (1996) Article DOI: 10.1021/jm950797i BindingDB Entry DOI: 10.7270/Q2WD3ZN2
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50050431 ((-)-calanolide B | (10S,11R,12S)-12-Hydroxy-6,6,10...) Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)[C@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
MediChem Research, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against DNA -dependent DNA polymerase(DDDP) of HIV-1 RT Nucleic Acid polymerase				J Med Chem 39: 1303-13 (1996) Article DOI: 10.1021/jm950797i BindingDB Entry DOI: 10.7270/Q2WD3ZN2
					More data for this Ligand-Target Pair