BDBM50108349 CHEMBL297839::Indole Derivative

SMILES: CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45

InChI Key: InChIKey=YLFVOHQBMMEFKC-MWKAYASPSA-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 = 50108349   

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 (Rattus norvegicus (rat))	BDBM50108349 (CHEMBL297839 | Indole Derivative) Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27| Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptor by displacing [3H]DADL was determined				Bioorg Med Chem Lett 12: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2S181T9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108349 (CHEMBL297839 | Indole Derivative) Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27| Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity of the compound for gamma-S binding assay				Bioorg Med Chem Lett 12: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2S181T9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50108349 (CHEMBL297839 | Indole Derivative) Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27| Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor by displacing U-69,593 was determined in [35S]GTP gamma-S binding assay				Bioorg Med Chem Lett 12: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2S181T9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50108349 (CHEMBL297839 | Indole Derivative) Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27| Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	561	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity of the compound for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay				Bioorg Med Chem Lett 12: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2S181T9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50108349 (CHEMBL297839 | Indole Derivative) Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27| Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity of the compound for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay				Bioorg Med Chem Lett 12: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2S181T9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50108349 (CHEMBL297839 | Indole Derivative) Show SMILES CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27| Show InChI InChI=1S/C27H30N2O2/c1-3-4-7-17-21-16-8-5-6-9-18(16)28-24(21)26-27-12-13-29(2)19(23(17)27)14-15-10-11-20(30)25(31-26)22(15)27/h5-6,8-11,17,19,23,26,28,30H,3-4,7,12-14H2,1-2H3/t17-,19?,23?,26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined				Bioorg Med Chem Lett 12: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2S181T9
					More data for this Ligand-Target Pair