BDBM50195677 (1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl]amino}-4-(cyclopropylmethyl)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one::CHEMBL216251

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1

InChI Key: InChIKey=GVBJTHQLULFNPT-QOHCPDRESA-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 = 50195677   

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))	BDBM50195677 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 6926-30 (2009) Article DOI: 10.1021/jm901074a BindingDB Entry DOI: 10.7270/Q2GH9J1M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50195677 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50195677 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenate				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50195677 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 6926-30 (2009) Article DOI: 10.1021/jm901074a BindingDB Entry DOI: 10.7270/Q2GH9J1M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50195677 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50195677 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 6926-30 (2009) Article DOI: 10.1021/jm901074a BindingDB Entry DOI: 10.7270/Q2GH9J1M
					More data for this Ligand-Target Pair