BDBM247370 US9447092, 3

SMILES: Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1

InChI Key: InChIKey=ZYQKMYRXVHUATB-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 247370   

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 3A4 (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Myc-tagged Aurora A was transfected in Hela cells using Lipofectamine LTX in 24 well plates, and 24 hours after transfection, cells were treated with...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description All hERG percentage inhibitions at 10 uM compound concentration were determined by Millipore in a high-throughput cell-based electrophysiology assay ...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM247370 (US9447092, 3) Show SMILES Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1 Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)25-11)18-23-16-17(14(20)8-21-19(16)24-18)29-6-4-28(5-7-29)10-15-22-12(2)30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
					More data for this Ligand-Target Pair