BDBM50321602 (3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methyl)-9-((1H-indol-3-yl)methyl)-3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-15-benzyl-6-butyl-12-(3-guanidinopropyl)-5,8,11,14,17,20,23-heptaoxo-23-((1-phenethylpiperidin-4-yl)(phenyl)amino)-4,7,10,13,16,19-hexaazatricosan-1-oic acid::CHEMBL1172244

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WVNNVFIQARDNCG-SXACLTSNSA-N

Data: 3 KI  6 IC50

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 9 hits for monomerid = 50321602   

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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,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	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,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	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50321602 ((3S,6S,9S,12S,15R,18S)-18-((1H-imidazol-5-yl)methy...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C74H92N16O11/c1-2-3-28-57(68(96)88-63(44-66(93)94)73(101)85-59(67(75)95)40-49-21-10-5-11-22-49)83-71(99)61(42-51-45-80-56-29-17-16-27-55(51)56)87-69(97)58(30-18-36-79-74(76)77)84-70(98)60(41-50-23-12-6-13-24-50)86-72(100)62(43-52-46-78-47-81-52)82-64(91)31-32-65(92)90(53-25-14-7-15-26-53)54-34-38-89(39-35-54)37-33-48-19-8-4-9-20-48/h4-17,19-27,29,45-47,54,57-63,80H,2-3,18,28,30-44H2,1H3,(H2,75,95)(H,78,81)(H,82,91)(H,83,99)(H,84,98)(H,85,101)(H,86,100)(H,87,97)(H,88,96)(H,93,94)(H4,76,77,79)/t57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN
					More data for this Ligand-Target Pair