BDBM50087063 4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butylcarbamoyl}-butyric acid::CHEMBL280848

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O

InChI Key: InChIKey=CGXNXLAZEVZEJK-JQESVBDTSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50087063   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50087063 (4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of rat brain using [3H]-pClPhe4-DPDPE as radioligand.				J Med Chem 43: 1359-66 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S0S
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50087063 (4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinities against delta 2 opioid receptor of rat brain using [3H]Ile5,6-deltorphin II as radioligand.				J Med Chem 43: 1359-66 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S0S
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50087063 (4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 of rat brain using [3H]-nor BNI as radioligand.				J Med Chem 43: 1359-66 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S0S
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50087063 (4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description binding affinities against delta opioid receptor of rat brain using [3H]-DAMGO as radioligand.				J Med Chem 43: 1359-66 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S0S
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50087063 (4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42-/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	6.57	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory concentration for inhibition of electrically induced smooth muscle contractions of MVD (mouse vas deferens) myenteric-plexus-longitudinal ...				J Med Chem 43: 1359-66 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S0S
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50087063 (4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description inhibitory concentration for inhibition of electrically induced smooth muscle contractions of GPI (guinea pig ileum) myenteric-plexus-longitudinal mu...				J Med Chem 43: 1359-66 (2001) BindingDB Entry DOI: 10.7270/Q2MS3S0S
					More data for this Ligand-Target Pair