BDBM50192665 CHEMBL3892579

SMILES: Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1

InChI Key: InChIKey=RDQXNTXNNZITKD-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50192665   

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 2C9 (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of T-type calcium channel Cav3.3 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of T-type calcium channel Cav3.1 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam as substrate				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone as substrate				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50192665 (CHEMBL3892579) Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9| Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...				J Med Chem 59: 8398-411 (2016) BindingDB Entry DOI: 10.7270/Q2J67JWK
					More data for this Ligand-Target Pair