BDBM50105070 1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino]-propyl}-1,3-dihydro-benzoimidazol-2-one::CHEMBL114280

SMILES: Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O

InChI Key: InChIKey=PXWAOPCHLIOXQZ-UHFFFAOYSA-N

Data: 10 IC50

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 = 50105070   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of ligand binding to human delta opioid receptor.				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of alpha-1 adrenergic receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of sigma receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	507	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D1				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	429	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D4.4				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	507	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair