null

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1

InChI Key: InChIKey=WHUMNYJAAHSBSQ-WTBOZYSNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50431838   

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))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liq...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50431838 (CHEMBL2347237) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3| Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...				Bioorg Med Chem Lett 23: 2128-33 (2013) Article DOI: 10.1016/j.bmcl.2013.01.117 BindingDB Entry DOI: 10.7270/Q2765GQZ
					More data for this Ligand-Target Pair