BDBM50007152 1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-diol::CHEMBL313304

SMILES: NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1

InChI Key: InChIKey=IFTXVACPDRUAPN-LOACHALJSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50007152   

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(1A) dopamine receptor (RAT)	BDBM50007152 (1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-dio...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1 Show InChI InChI=1S/C16H16INO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007152 (1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-dio...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1 Show InChI InChI=1S/C16H16INO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007152 (1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-dio...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1 Show InChI InChI=1S/C16H16INO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50007152 (1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-dio...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1 Show InChI InChI=1S/C16H16INO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair