BDBM50237426 CHEMBL4091588

SMILES: Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1

InChI Key: InChIKey=JQXKWXCLIPIEBH-XMMPIXPASA-N

Data: 2 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 2 hits for monomerid = 50237426   

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 kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50237426 (CHEMBL4091588) Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Effective concentration for agonist activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50237426 (CHEMBL4091588) Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity against human melanocortin receptor hMC1R at 50% maximum cAMP accumulation				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair