BDBM50088394 2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL309106

SMILES: CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1

InChI Key: InChIKey=LQTJOPPTSIYEES-SANMLTNESA-N

Data: 10 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 10 hits for monomerid = 50088394   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human 5-hydroxytryptamine 7 receptor was determined using [3H]-LSD as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Dopamine receptor D2L was determined using [3H]-spiperone as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Dopamine receptor D2S was determined using [3H]-spiperone as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards histamine H1 receptor was determined in guinea pig brain using [3H]-pyrilamine as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Dopamine receptor D3 was determined using [3H]-spiperone as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (NEONATAL RAT)	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat alpha-2B adrenergic receptor was determined using [3H]-yohimbine as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair