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SMILES: Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1

InChI Key: InChIKey=OROGDQDTZRXQRG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50536192   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50536192 (CHEMBL4570567) Show SMILES Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Ethoxyresorufi...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50536192 (CHEMBL4570567) Show SMILES Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 3-Cyano-7-Eth...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50536192 (CHEMBL4570567) Show SMILES Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 7-methoxy-4-(a...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50536192 (CHEMBL4570567) Show SMILES Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 7-methoxy-4-(t...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50536192 (CHEMBL4570567) Show SMILES Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028
					More data for this Ligand-Target Pair