BDBM50173128 CHEMBL3808398

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O

InChI Key: InChIKey=SWIPQMATHCKNQK-NUPJQHTASA-N

Data: 4 KI  2 IC50  1 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 7 hits for monomerid = 50173128   

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))	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal musc...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at human nociceptin receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production preincubated f...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50173128 (CHEMBL3808398) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced contraction by isometric force transducer a...				J Med Chem 59: 3777-92 (2016) BindingDB Entry DOI: 10.7270/Q2T72KC6
					More data for this Ligand-Target Pair