BDBM50173127 CHEMBL3808415

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=DBXXUNROIBQTKD-XFQSCKMHSA-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 = 50173127   

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))	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	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
Nociceptin receptor (Homo sapiens (Human))	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	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)	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/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	5.30	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))	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/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)	BDBM50173127 (CHEMBL3808415) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	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