BDBM50492402 CHEMBL2403216

SMILES: COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1

InChI Key: InChIKey=AQFOFSMOQYNDBF-NLDSVXPCSA-N

Data: 2 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 2 hits for monomerid = 50492402   

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
Nociceptin/mu opioid receptor (RAT)	BDBM50492402 (CHEMBL2403216) Show SMILES COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 |r| Show InChI InChI=1S/C50H71N15O10/c1-28(66)61-40(9-6-22-58-50(55)56)46(72)64-42(24-30-12-16-32(68)17-13-30)48(74)65-41(23-29-10-14-31(67)15-11-29)47(73)63-39(8-5-21-57-49(53)54)45(71)60-27-36(44(70)62-38(43(52)69)7-3-4-20-51)35-26-59-37-19-18-33(75-2)25-34(35)37/h10-19,25-26,36,38-42,59,67-68H,3-9,20-24,27,51H2,1-2H3,(H2,52,69)(H,60,71)(H,61,66)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H4,53,54,57)(H4,55,56,58)/t36-,38-,39-,40-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a
Bulgarian Academy of Sciences Curated by ChEMBL					Assay Description Activity at Wistar rat NOP receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction				Bioorg Med Chem Lett 23: 4052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.064 BindingDB Entry DOI: 10.7270/Q2639SNZ
					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (RAT)	BDBM50492402 (CHEMBL2403216) Show SMILES COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 |r| Show InChI InChI=1S/C50H71N15O10/c1-28(66)61-40(9-6-22-58-50(55)56)46(72)64-42(24-30-12-16-32(68)17-13-30)48(74)65-41(23-29-10-14-31(67)15-11-29)47(73)63-39(8-5-21-57-49(53)54)45(71)60-27-36(44(70)62-38(43(52)69)7-3-4-20-51)35-26-59-37-19-18-33(75-2)25-34(35)37/h10-19,25-26,36,38-42,59,67-68H,3-9,20-24,27,51H2,1-2H3,(H2,52,69)(H,60,71)(H,61,66)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H4,53,54,57)(H4,55,56,58)/t36-,38-,39-,40-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a
Bulgarian Academy of Sciences Curated by ChEMBL					Assay Description Activity at Wistar rat NOP receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction in presence of naloxone				Bioorg Med Chem Lett 23: 4052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.064 BindingDB Entry DOI: 10.7270/Q2639SNZ
					More data for this Ligand-Target Pair