BDBM50494231 CHEMBL3217272

SMILES: Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC

InChI Key: InChIKey=XEZDTNPNVDUMNH-MQPHJAPDSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50494231   

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))	BDBM50494231 (CHEMBL3217272) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C25H34N2O.2ClH/c1-19-18-27(13-7-10-20-8-4-3-5-9-20)23-15-22(26-2)16-25(19,17-23)21-11-6-12-24(28)14-21;;/h3-6,8-9,11-12,14,19,22-23,26,28H,7,10,13,15-18H2,1-2H3;2*1H/t19-,22+,23+,25+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.371	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494231 (CHEMBL3217272) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C25H34N2O.2ClH/c1-19-18-27(13-7-10-20-8-4-3-5-9-20)23-15-22(26-2)16-25(19,17-23)21-11-6-12-24(28)14-21;;/h3-6,8-9,11-12,14,19,22-23,26,28H,7,10,13,15-18H2,1-2H3;2*1H/t19-,22+,23+,25+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494231 (CHEMBL3217272) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C25H34N2O.2ClH/c1-19-18-27(13-7-10-20-8-4-3-5-9-20)23-15-22(26-2)16-25(19,17-23)21-11-6-12-24(28)14-21;;/h3-6,8-9,11-12,14,19,22-23,26,28H,7,10,13,15-18H2,1-2H3;2*1H/t19-,22+,23+,25+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494231 (CHEMBL3217272) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C25H34N2O.2ClH/c1-19-18-27(13-7-10-20-8-4-3-5-9-20)23-15-22(26-2)16-25(19,17-23)21-11-6-12-24(28)14-21;;/h3-6,8-9,11-12,14,19,22-23,26,28H,7,10,13,15-18H2,1-2H3;2*1H/t19-,22+,23+,25+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494231 (CHEMBL3217272) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C25H34N2O.2ClH/c1-19-18-27(13-7-10-20-8-4-3-5-9-20)23-15-22(26-2)16-25(19,17-23)21-11-6-12-24(28)14-21;;/h3-6,8-9,11-12,14,19,22-23,26,28H,7,10,13,15-18H2,1-2H3;2*1H/t19-,22+,23+,25+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair