BDBM50090834 9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-9lambda*4*-thia-1-aza-phenanthren-6-ol::CHEMBL99355

SMILES: CCCN1CCOC2C1CS(=O)c1ccc(O)cc21

InChI Key: InChIKey=LMWAUEIFLCRUHZ-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50090834   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090834 (9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...) Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50090834 (9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...) Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50090834 (9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...) Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Tested for antagonist binding affinity by measuring displacement of [3H]-spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair