BDBM50511715 CHEMBL4540245

SMILES: [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O

InChI Key: InChIKey=UYHWDIBEHUGTPY-BPLDGKMQSA-N

Data: 1 IC50  2 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 = 50511715   

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))	BDBM50511715 (CHEMBL4540245) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-5-6-19-8-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	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	650	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511715 (CHEMBL4540245) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-5-6-19-8-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	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	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of IDO1 in human A172 cells after 24 hrs in presence of IFNgamma by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511715 (CHEMBL4540245) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-5-6-19-8-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004
					More data for this Ligand-Target Pair