BDBM50446922 CHEMBL3115578

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

InChI Key: InChIKey=SLOWOAMUBQTOII-OAQYLSRUSA-N

Data: 4 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 5 hits for monomerid = 50446922   

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))	BDBM50446922 (CHEMBL3115578) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r| Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	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))	BDBM50446922 (CHEMBL3115578) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r| Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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))	BDBM50446922 (CHEMBL3115578) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r| Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	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))	BDBM50446922 (CHEMBL3115578) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r| Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	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))	BDBM50446922 (CHEMBL3115578) Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r| Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/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	1.60	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