BDBM50540669 CHEMBL4637524

SMILES: COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1

InChI Key: InChIKey=NVHGMWWFUVHRFA-LLVKDONJSA-N

Data: 4 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 4 hits for monomerid = 50540669   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50540669 (CHEMBL4637524) Show SMILES COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r| Show InChI InChI=1S/C19H24N4O4/c1-11(12-6-4-3-5-7-12)21-18(25)15-16(24)19(26)23-17(22-15)14-10-13(27-2)8-9-20-14/h8-12,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM S.p.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG measured after 4 hrs by fluorescence polarization assay				ACS Med Chem Lett 11: 766-772 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50540669 (CHEMBL4637524) Show SMILES COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r| Show InChI InChI=1S/C19H24N4O4/c1-11(12-6-4-3-5-7-12)21-18(25)15-16(24)19(26)23-17(22-15)14-10-13(27-2)8-9-20-14/h8-12,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM S.p.A. Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP3A4 expressed in baculovirus infected insect cells using luciferin-IPA as substrate preincubated with enzyme/substr...				ACS Med Chem Lett 11: 766-772 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50540669 (CHEMBL4637524) Show SMILES COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r| Show InChI InChI=1S/C19H24N4O4/c1-11(12-6-4-3-5-7-12)21-18(25)15-16(24)19(26)23-17(22-15)14-10-13(27-2)8-9-20-14/h8-12,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM S.p.A. Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2D6 expressed in baculovirus infected insect cells using luciferin-ME as substrate preincubated with enzyme/substra...				ACS Med Chem Lett 11: 766-772 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50540669 (CHEMBL4637524) Show SMILES COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r| Show InChI InChI=1S/C19H24N4O4/c1-11(12-6-4-3-5-7-12)21-18(25)15-16(24)19(26)23-17(22-15)14-10-13(27-2)8-9-20-14/h8-12,24H,3-7H2,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM S.p.A. Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2 expressed in baculovirus infected insect cells using luciferin-1A2 as substrate preincubated with enzyme-substr...				ACS Med Chem Lett 11: 766-772 (2020)
					More data for this Ligand-Target Pair