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SMILES: COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50576021   

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
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-glucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Homo sapiens)	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50576021 (CHEMBL4573938) Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair