BDBM50007141 1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol::CHEMBL87172

SMILES: NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ILWGLMLPVXFDGW-LBAQZLPGSA-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 = 50007141   

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)	BDBM50007141 (1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	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))	BDBM50007141 (1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.61E+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))	BDBM50007141 (1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/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 Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland				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))	BDBM50007141 (1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...) Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/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	100	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