BDBM50222126 CHEMBL88940

SMILES: CCCCCCN(CCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4

InChI Key: InChIKey=JALUSCUOAXSBAN-KPJFAVJXSA-N

Data: 1 KI

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 = 50222126   

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)	BDBM50222126 (CHEMBL88940) Show SMILES CCCCCCN(CCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:40,t:42,64| Show InChI InChI=1S/C50H73N3O11/c1-12-14-16-18-24-53(25-19-17-15-13-2)51-28-36-27-37-39-44(57)34(8)47-40(37)48(59)50(10,64-47)62-26-23-38(61-11)31(5)46(63-35(9)54)33(7)43(56)32(6)42(55)29(3)21-20-22-30(4)49(60)52-41(36)45(39)58/h20-23,26-29,31-33,38,42-43,46,55-58H,12-19,24-25H2,1-11H3,(H,52,60)/b21-20+,26-23+,30-22-,51-28+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.98E+8	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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