BDBM50131921 CHEMBL340641::Isoquinoline-3-carboxylic acid {4-[4-(2,4-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide

SMILES: Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1

InChI Key: InChIKey=BJILZOKLMRTDFN-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50131921   

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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat cortex alpha-1 adrenergic receptor by inhibition of [3H]prazosin binding				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat cortex Alpha-2 adrenergic receptor was determined using [3H]-RX 81002 binding				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat hippocampus 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair