BDBM50027124 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(Azacycloundec-1-yl)-methylene-amino-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate::CHEMBL312900

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)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=NOHNSDXSLIORAQ-OBZSDQAPSA-N

Data: 1 KI  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 3 hits for monomerid = 50027124   

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)	BDBM50027124 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)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:36,t:3,38| Show InChI InChI=1S/C48H67N3O11/c1-27-19-18-20-28(2)47(58)50-39-34(26-49-51-22-16-14-12-10-11-13-15-17-23-51)25-35-37(43(39)56)42(55)32(6)45-38(35)46(57)48(8,62-45)60-24-21-36(59-9)29(3)44(61-33(7)52)31(5)41(54)30(4)40(27)53/h18-21,24-27,29-31,36,40-41,44,53-56H,10-17,22-23H2,1-9H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.04E+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
					More data for this Ligand-Target Pair
Simian sarcoma virus Pol protein (Woolly monkey sarcoma virus)	BDBM50027124 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)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:36,t:3,38| Show InChI InChI=1S/C48H67N3O11/c1-27-19-18-20-28(2)47(58)50-39-34(26-49-51-22-16-14-12-10-11-13-15-17-23-51)25-35-37(43(39)56)42(55)32(6)45-38(35)46(57)48(8,62-45)60-24-21-36(59-9)29(3)44(61-33(7)52)31(5)41(54)30(4)40(27)53/h18-21,24-27,29-31,36,40-41,44,53-56H,10-17,22-23H2,1-9H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit simian sarcoma virus reverse transcriptase				J Med Chem 23: 256-61 (1980) BindingDB Entry DOI: 10.7270/Q2XD10PG
					More data for this Ligand-Target Pair
DNA polymerase beta (Mus musculus)	BDBM50027124 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)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:36,t:3,38| Show InChI InChI=1S/C48H67N3O11/c1-27-19-18-20-28(2)47(58)50-39-34(26-49-51-22-16-14-12-10-11-13-15-17-23-51)25-35-37(43(39)56)42(55)32(6)45-38(35)46(57)48(8,62-45)60-24-21-36(59-9)29(3)44(61-33(7)52)31(5)41(54)30(4)40(27)53/h18-21,24-27,29-31,36,40-41,44,53-56H,10-17,22-23H2,1-9H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit mouse beta DNA polymerase				J Med Chem 23: 256-61 (1980) BindingDB Entry DOI: 10.7270/Q2XD10PG
					More data for this Ligand-Target Pair