BDBM50192284 CHEMBL3901211::US10239870, Example 15

SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C

InChI Key InChIKey=AAPXNHMQKBDDJN-XMSQKQJNSA-N

Data  4 KI  1 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50192284   

TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Indivior UK Limited

US Patent
LigandPNGBDBM50192284(CHEMBL3901211 | US10239870, Example 15)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C
Show InChI InChI=1S/C22H27N5OS/c1-16-19(28-15-23-16)20-24-25-21(26(20)2)29-12-6-10-27-11-9-22(14-27)13-18(22)17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3/t18-,22-/m1/s1
Affinity DataKi:  28.2nMAssay Description:[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Aptuit s.r.l

Curated by ChEMBL
LigandPNGBDBM50192284(CHEMBL3901211 | US10239870, Example 15)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C
Show InChI InChI=1S/C22H27N5OS/c1-16-19(28-15-23-16)20-24-25-21(26(20)2)29-12-6-10-27-11-9-22(14-27)13-18(22)17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3/t18-,22-/m1/s1
Affinity DataKi:  42nMAssay Description:Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Aptuit s.r.l

Curated by ChEMBL
LigandPNGBDBM50192284(CHEMBL3901211 | US10239870, Example 15)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C
Show InChI InChI=1S/C22H27N5OS/c1-16-19(28-15-23-16)20-24-25-21(26(20)2)29-12-6-10-27-11-9-22(14-27)13-18(22)17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3/t18-,22-/m1/s1
Affinity DataKi:  708nMAssay Description:Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scin...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Aptuit s.r.l

Curated by ChEMBL
LigandPNGBDBM50192284(CHEMBL3901211 | US10239870, Example 15)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C
Show InChI InChI=1S/C22H27N5OS/c1-16-19(28-15-23-16)20-24-25-21(26(20)2)29-12-6-10-27-11-9-22(14-27)13-18(22)17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3/t18-,22-/m1/s1
Affinity DataKi:  4.17E+3nMAssay Description:CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were seeded into b...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Aptuit s.r.l

Curated by ChEMBL
LigandPNGBDBM50192284(CHEMBL3901211 | US10239870, Example 15)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C
Show InChI InChI=1S/C22H27N5OS/c1-16-19(28-15-23-16)20-24-25-21(26(20)2)29-12-6-10-27-11-9-22(14-27)13-18(22)17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3/t18-,22-/m1/s1
Affinity DataIC50: 3.63E+3nMAssay Description:Inhibition of human ERG transfected in HEK293 cells assessed as reduction in tail current by patch clamp assayMore data for this Ligand-Target Pair