BDBM50003169 CHEMBL4066436

SMILES: Clc1cccc(c1)C(=O)NCC1NCCc2ccccc12

InChI Key: InChIKey=AOCZYEHUBSKDRN-AAXGPXMQSA-N

Data: 3 IC50  1 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 = 50003169   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50003169 (CHEMBL4066436) Show SMILES Clc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C37H55N5O9/c43-32-15-7-13-27(23-42-17-19-49-20-18-42)51-37(48)33(44)29(21-25-9-3-1-4-10-25)39-36(47)31(24-50-32)41-35(46)30(22-26-11-5-2-6-12-26)40-34(45)28-14-8-16-38-28/h2,5-6,11-12,25,27-31,33,38,44H,1,3-4,7-10,13-24H2,(H,39,47)(H,40,45)(H,41,46)/t27-,28?,29+,30?,31+,33-/m1/s1	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	n/a	n/a	380	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50003169 (CHEMBL4066436) Show SMILES Clc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C37H55N5O9/c43-32-15-7-13-27(23-42-17-19-49-20-18-42)51-37(48)33(44)29(21-25-9-3-1-4-10-25)39-36(47)31(24-50-32)41-35(46)30(22-26-11-5-2-6-12-26)40-34(45)28-14-8-16-38-28/h2,5-6,11-12,25,27-31,33,38,44H,1,3-4,7-10,13-24H2,(H,39,47)(H,40,45)(H,41,46)/t27-,28?,29+,30?,31+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50003169 (CHEMBL4066436) Show SMILES Clc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C37H55N5O9/c43-32-15-7-13-27(23-42-17-19-49-20-18-42)51-37(48)33(44)29(21-25-9-3-1-4-10-25)39-36(47)31(24-50-32)41-35(46)30(22-26-11-5-2-6-12-26)40-34(45)28-14-8-16-38-28/h2,5-6,11-12,25,27-31,33,38,44H,1,3-4,7-10,13-24H2,(H,39,47)(H,40,45)(H,41,46)/t27-,28?,29+,30?,31+,33-/m1/s1	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	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50003169 (CHEMBL4066436) Show SMILES Clc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C37H55N5O9/c43-32-15-7-13-27(23-42-17-19-49-20-18-42)51-37(48)33(44)29(21-25-9-3-1-4-10-25)39-36(47)31(24-50-32)41-35(46)30(22-26-11-5-2-6-12-26)40-34(45)28-14-8-16-38-28/h2,5-6,11-12,25,27-31,33,38,44H,1,3-4,7-10,13-24H2,(H,39,47)(H,40,45)(H,41,46)/t27-,28?,29+,30?,31+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair