BDBM50446924 CHEMBL3115575

SMILES: Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1

InChI Key: InChIKey=XLHGDHLCZBHDRQ-MRXNPFEDSA-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 = 50446924   

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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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))	BDBM50446924 (CHEMBL3115575) Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/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	0.0316	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