BDBM50018286 CHEMBL3290335

SMILES: C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C#N

InChI Key: InChIKey=XGAKLPIDELWBDY-LJQANCHMSA-N

Data: 3 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 3 hits for monomerid = 50018286   

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
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human))	BDBM50018286 (CHEMBL3290335) Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C#N |r| Show InChI InChI=1S/C27H23N7/c1-19-18-33(11-12-34(19)26-10-8-22(16-29)17-30-26)27-24-13-21(15-28)7-9-23(24)25(31-32-27)14-20-5-3-2-4-6-20/h2-10,13,17,19H,11-12,14,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr				J Med Chem 57: 5074-84 (2014) Article DOI: 10.1021/jm500338n BindingDB Entry DOI: 10.7270/Q27S7Q93
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human))	BDBM50018286 (CHEMBL3290335) Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C#N |r| Show InChI InChI=1S/C27H23N7/c1-19-18-33(11-12-34(19)26-10-8-22(16-29)17-30-26)27-24-13-21(15-28)7-9-23(24)25(31-32-27)14-20-5-3-2-4-6-20/h2-10,13,17,19H,11-12,14,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Inhibition of human S1PL using RBM13 as substrate measured after 1 hr by fluorogenic assay				Bioorg Med Chem 24: 4381-4389 (2016) BindingDB Entry DOI: 10.7270/Q2862JDX
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50018286 (CHEMBL3290335) Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C#N |r| Show InChI InChI=1S/C27H23N7/c1-19-18-33(11-12-34(19)26-10-8-22(16-29)17-30-26)27-24-13-21(15-28)7-9-23(24)25(31-32-27)14-20-5-3-2-4-6-20/h2-10,13,17,19H,11-12,14,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at smoothened (unknown origin)				J Med Chem 57: 5074-84 (2014) Article DOI: 10.1021/jm500338n BindingDB Entry DOI: 10.7270/Q27S7Q93
					More data for this Ligand-Target Pair