BDBM50499428 CHEMBL3741377

SMILES: [H][C@@]12CN(CC(C)(C)O)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12

InChI Key: InChIKey=SNDZYLYWJVRQAH-PHZGNYQRSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50499428   

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))	BDBM50499428 (CHEMBL3741377) Show SMILES [H][C@@]12CN(CC(C)(C)O)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r| Show InChI InChI=1S/C21H30N4O2/c1-13(2)19-23-18(17-7-5-6-8-25(17)19)20(26)22-9-14-15-10-24(11-16(14)15)12-21(3,4)27/h5-8,13-16,27H,9-12H2,1-4H3,(H,22,26)/t14-,15-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 2 mins by LC-MS/MS analysis in presence of NADPH regeneration syste...				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50499428 (CHEMBL3741377) Show SMILES [H][C@@]12CN(CC(C)(C)O)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r| Show InChI InChI=1S/C21H30N4O2/c1-13(2)19-23-18(17-7-5-6-8-25(17)19)20(26)22-9-14-15-10-24(11-16(14)15)12-21(3,4)27/h5-8,13-16,27H,9-12H2,1-4H3,(H,22,26)/t14-,15-,16+	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP level after 4 hrs by luciferase reporter gene assay				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50499428 (CHEMBL3741377) Show SMILES [H][C@@]12CN(CC(C)(C)O)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r| Show InChI InChI=1S/C21H30N4O2/c1-13(2)19-23-18(17-7-5-6-8-25(17)19)20(26)22-9-14-15-10-24(11-16(14)15)12-21(3,4)27/h5-8,13-16,27H,9-12H2,1-4H3,(H,22,26)/t14-,15-,16+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins by LC-MS/MS analysis in presence of NADPH regenerati...				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
					More data for this Ligand-Target Pair