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SMILES: CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31

InChI Key: InChIKey=HLRBSTGXOFUEHW-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 52987   

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
POsterior Segregation (Caenorhabditis elegans)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C
					More data for this Ligand-Target Pair
Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radioligand				J Med Chem 33: 1800-5 (1990) BindingDB Entry DOI: 10.7270/Q2K35SMD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	915	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity at rat striatal Dopamine receptor D1 using [3H]- SCH-23390 radioligand				J Med Chem 33: 1800-5 (1990) BindingDB Entry DOI: 10.7270/Q2K35SMD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals Inc. Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 from rat brain corpus striatum membrane				J Med Chem 33: 3122-4 (1991) BindingDB Entry DOI: 10.7270/Q2G15ZS3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals Inc. Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 from rat brain corpus striatum membrane				J Med Chem 33: 3122-4 (1991) BindingDB Entry DOI: 10.7270/Q2G15ZS3
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4)				J Med Chem 24: 1440-5 (1981) BindingDB Entry DOI: 10.7270/Q2QV3PQK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from rat dopamine D1 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonistic activity against calf striatal Dopamine receptor using [3H]- ADTN radioligand				J Med Chem 33: 1800-5 (1990) BindingDB Entry DOI: 10.7270/Q2K35SMD
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]spiroperidol binding to calf caudate membrane preparation (p4)				J Med Chem 24: 1440-5 (1981) BindingDB Entry DOI: 10.7270/Q2QV3PQK
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from rat dopamine D1 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair