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SMILES: CCCc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1

InChI Key: InChIKey=KBXQAHKIUBTDCL-DNVCBOLYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50077634   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50077634 ((6aR,12bS)-3-Propyl-5,6,6a,7,8,12b-hexahydro-4,6-d...) Show SMILES CCCc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1 Show InChI InChI=1S/C19H22N2O2/c1-2-3-12-5-6-13-16(21-12)10-20-15-7-4-11-8-17(22)18(23)9-14(11)19(13)15/h5-6,8-9,15,19-20,22-23H,2-4,7,10H2,1H3/t15-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Potency in adenylate cyclase functional assay against Dopamine receptor D1				Bioorg Med Chem Lett 9: 1341-6 (1999) BindingDB Entry DOI: 10.7270/Q2S75FH5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50077634 ((6aR,12bS)-3-Propyl-5,6,6a,7,8,12b-hexahydro-4,6-d...) Show SMILES CCCc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1 Show InChI InChI=1S/C19H22N2O2/c1-2-3-12-5-6-13-16(21-12)10-20-15-7-4-11-8-17(22)18(23)9-14(11)19(13)15/h5-6,8-9,15,19-20,22-23H,2-4,7,10H2,1H3/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human Dopamine receptor D2 by using radioligand [3H]-spiperone in LTK cells				Bioorg Med Chem Lett 9: 1341-6 (1999) BindingDB Entry DOI: 10.7270/Q2S75FH5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50077634 ((6aR,12bS)-3-Propyl-5,6,6a,7,8,12b-hexahydro-4,6-d...) Show SMILES CCCc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1 Show InChI InChI=1S/C19H22N2O2/c1-2-3-12-5-6-13-16(21-12)10-20-15-7-4-11-8-17(22)18(23)9-14(11)19(13)15/h5-6,8-9,15,19-20,22-23H,2-4,7,10H2,1H3/t15-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Potency in adenylate cyclase functional assay against Dopamine receptor D1				Bioorg Med Chem Lett 9: 1341-6 (1999) BindingDB Entry DOI: 10.7270/Q2S75FH5
					More data for this Ligand-Target Pair