BDBM50140913 6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaen-13-ol

SMILES: Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1

InChI Key: InChIKey=GSOFQIRSCHLMHR-OPECHTPQSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50140913   

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))	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in gu...				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity at opioid receptor delta 1 by displacement of [3H]DADLE in rat brain membrane				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor kappa 1 by displacement of [3H]U-69593 in guinea pig brain membranes				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Apparent binding affinity of compound was determined by antagonism towards Opioid receptor mu 1 in [35S]GTP-gamma-S, binding assay in guinea pig caud...				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Apparent binding affinity of compound was determined by antagonism towards kappa opioid receptors in [35S]GTP-gamma-S, binding assay in guinea pig ca...				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor mu 1 by displacement of [3H]DAMGO in rat brain membrane				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50140913 (6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21| Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration for inhibition of Opioid receptor mu 1 induced contractions in guinea pig ileum (GPI) smooth muscle assays				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair