BDBM50446926 CHEMBL3115582

SMILES: Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1

InChI Key: InChIKey=MSHUBKLFRWFTKI-HSZRJFAPSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 50446926   

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))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50446926 (CHEMBL3115582) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins...				J Med Chem 57: 391-410 (2014) Article DOI: 10.1021/jm401384w BindingDB Entry DOI: 10.7270/Q2WS8VQD
					More data for this Ligand-Target Pair