BDBM50222129 CHEMBL313144

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C

InChI Key: InChIKey=XUMHRXNGIHLIFO-XYFJGSFFSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222129   

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
Simian sarcoma virus Pol protein (Woolly monkey sarcoma virus)	BDBM50222129 (CHEMBL313144) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34| Show InChI InChI=1S/C44H59N3O11/c1-23-15-14-16-24(2)43(54)46-35-30(22-45-47-18-12-10-11-13-19-47)21-31-33(39(35)52)38(51)28(6)41-34(31)42(53)44(8,58-41)56-20-17-32(55-9)25(3)40(57-29(7)48)27(5)37(50)26(4)36(23)49/h14-17,20-23,25-27,32,36-37,40,49-52H,10-13,18-19H2,1-9H3,(H,46,54)/b15-14+,20-17+,24-16-,45-22+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.09E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.				J Med Chem 23: 256-61 (1980) BindingDB Entry DOI: 10.7270/Q2XD10PG
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