BDBM50034346 (3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indol-5-ol::(3aS,9aR)-1-allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indol-5-ol::1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indol-5-ol::CHEMBL11363

SMILES: Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12

InChI Key: InChIKey=GNOHLPXINNYCLR-TZMCWYRMSA-N

Data: 10 KI

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 10 hits for monomerid = 50034346   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells				J Med Chem 36: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand				J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity for [3H]raclopride-labeled dopamine receptor D2 in rat striatum				J Med Chem 36: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand				J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity for [3H]raclopride-labeled dopamine receptor D2 in rat striatum				J Med Chem 36: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus				J Med Chem 36: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand				J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus				J Med Chem 36: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arris Pharmaceutical Corporation Curated by ChEMBL					Assay Description Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 38: 1295-308 (1995) BindingDB Entry DOI: 10.7270/Q2CJ8CJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50034346 ((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...) Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12 Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells				J Med Chem 36: 1069-83 (1993) BindingDB Entry DOI: 10.7270/Q2833SPR
					More data for this Ligand-Target Pair