null

SMILES: NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O

InChI Key: InChIKey=ZYESGPQRGYSCFE-SXOXXYQQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50092999   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092999 (5'-(2-aminoethyl)Natrindole | CHEMBL72885) Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity by displacing [3H]U-69593 to human cloned Kappa opioid receptor transfected into CHO cells using [35S...				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092999 (5'-(2-aminoethyl)Natrindole | CHEMBL72885) Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092999 (5'-(2-aminoethyl)Natrindole | CHEMBL72885) Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for functional opioid activity by stimulation of [35S]GTP-gamma-S, in cloned human Opioid receptor delta 1 transfected into C...				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50092999 (5'-(2-aminoethyl)Natrindole | CHEMBL72885) Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against CHO cells transfected with cloned human Opioid receptor mu 1 by displacing [3H]DAMGO				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092999 (5'-(2-aminoethyl)Natrindole | CHEMBL72885) Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor delta 1 by displacement of [3H]Cl-DPDPE				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50092999 (5'-(2-aminoethyl)Natrindole | CHEMBL72885) Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor delta 1 by displacement of [3H]Cl-DPDPE				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair