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BDBM50010291 5-[4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)anilino(thioxo)methylamino]-3',6'-dihydroxyspiro[1,3-dihydroisobenzofuran-1,9'-(9'H-xanthene)]-3-onehydrochloride::CHEMBL538023

SMILES: Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)Nc4ccc(cc4)C4CNCCc5cc(O)c(O)cc45)ccc23)c1

InChI Key: InChIKey=KWGVYZBWQPYGEM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010291   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50010291
PNG
(5-[4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-benzo[d]...)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)Nc4ccc(cc4)C4CNCCc5cc(O)c(O)cc45)ccc23)c1
Show InChI InChI=1S/C37H29N3O7S/c41-23-6-9-29-33(15-23)46-34-16-24(42)7-10-30(34)37(29)28-8-5-22(14-26(28)35(45)47-37)40-36(48)39-21-3-1-19(2-4-21)27-18-38-12-11-20-13-31(43)32(44)17-25(20)27/h1-10,13-17,27,38,41-44H,11-12,18H2,(H2,39,40,48)
PDB

KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
 1.00E+4n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey

J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair