BDBM50296844 CHEMBL558807::FGGFTGARKSARKKWNQ

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Key: InChIKey=URYINPOXJIHSDS-PBUARHPHSA-N

Data: 1 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 2 hits for monomerid = 50296844   

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 receptor (RAT)	BDBM50296844 (CHEMBL558807 | FGGFTGARKSARKKWNQ) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,26.27,107.108,129.132,58.59,3.3,wD:78.79,7.15,47.48,98.99,121.124,67.68,(7.77,-3.8,;9.1,-4.57,;10.44,-3.81,;9.09,-6.11,;7.75,-6.88,;6.42,-6.1,;6.43,-4.56,;5.08,-6.86,;5.07,-8.4,;6.4,-9.18,;6.39,-10.71,;7.71,-11.49,;9.06,-10.73,;9.06,-9.18,;7.74,-8.42,;3.75,-6.08,;2.42,-6.85,;2.41,-8.39,;1.09,-6.07,;-.25,-6.83,;-1.58,-6.05,;-1.57,-4.51,;-2.92,-6.82,;-4.25,-6.04,;-5.59,-6.8,;-5.6,-8.34,;-6.91,-6.02,;-8.25,-6.79,;-6.9,-4.48,;-8.23,-3.71,;-8.22,-2.17,;-9.55,-1.38,;-10.89,-2.15,;-10.9,-3.7,;-9.57,-4.46,;10.42,-6.89,;10.41,-8.43,;11.76,-6.13,;13.09,-6.91,;14.42,-6.14,;14.43,-4.6,;15.75,-6.92,;17.09,-6.16,;17.1,-4.62,;18.42,-6.94,;18.41,-8.48,;19.76,-6.17,;21.09,-6.95,;21.08,-8.49,;19.74,-9.25,;19.73,-10.79,;18.39,-11.56,;18.38,-13.1,;17.05,-13.86,;19.72,-13.87,;22.43,-6.19,;22.44,-4.65,;23.76,-6.97,;25.09,-6.2,;25.1,-4.66,;26.44,-3.9,;26.45,-2.36,;27.79,-1.6,;27.79,-.06,;26.42,-6.98,;26.41,-8.52,;27.76,-6.22,;29.09,-7,;29.08,-8.54,;27.74,-9.3,;30.43,-6.23,;30.44,-4.69,;31.76,-7.01,;33.1,-6.25,;33.11,-4.71,;34.42,-7.03,;34.41,-8.57,;35.76,-6.26,;37.09,-7.04,;37.08,-8.58,;35.74,-9.34,;35.73,-10.88,;34.39,-11.65,;34.38,-13.19,;33.05,-13.95,;35.72,-13.96,;38.43,-6.28,;38.44,-4.74,;39.76,-7.06,;41.1,-6.29,;41.11,-4.75,;42.45,-3.99,;42.45,-2.45,;43.79,-1.69,;43.8,-.15,;42.43,-7.07,;42.42,-8.61,;43.77,-6.31,;45.09,-7.09,;45.08,-8.63,;46.41,-9.4,;46.4,-10.95,;47.72,-11.72,;47.72,-13.26,;46.43,-6.32,;46.44,-4.78,;47.76,-7.1,;49.1,-6.34,;49.11,-4.8,;50.44,-4.04,;51.83,-4.67,;52.86,-3.53,;52.1,-2.21,;52.58,-.76,;51.56,.39,;50.06,.07,;49.58,-1.38,;50.6,-2.51,;50.43,-7.12,;50.42,-8.66,;51.77,-6.36,;53.1,-7.13,;53.09,-8.67,;54.42,-9.46,;55.75,-8.69,;54.41,-11,;54.44,-6.38,;54.44,-4.84,;55.76,-7.15,;57.1,-6.39,;57.11,-4.85,;58.44,-4.09,;58.45,-2.55,;57.12,-1.77,;59.79,-1.79,;58.43,-7.17,;59.77,-6.41,;58.42,-8.71,)| Show InChI InChI=1S/C87H135N29O22/c1-47(104-69(122)45-103-84(136)71(49(3)118)116-82(134)62(39-51-22-8-5-9-23-51)106-70(123)44-101-68(121)43-102-74(126)54(91)38-50-20-6-4-7-21-50)72(124)107-59(29-18-36-98-86(94)95)76(128)111-58(28-14-17-35-90)79(131)115-65(46-117)83(135)105-48(2)73(125)108-60(30-19-37-99-87(96)97)77(129)109-56(26-12-15-33-88)75(127)110-57(27-13-16-34-89)78(130)113-63(40-52-42-100-55-25-11-10-24-53(52)55)80(132)114-64(41-67(93)120)81(133)112-61(85(137)138)31-32-66(92)119/h4-11,20-25,42,47-49,54,56-65,71,100,117-118H,12-19,26-41,43-46,88-91H2,1-3H3,(H2,92,119)(H2,93,120)(H,101,121)(H,102,126)(H,103,136)(H,104,122)(H,105,135)(H,106,123)(H,107,124)(H,108,125)(H,109,129)(H,110,127)(H,111,128)(H,112,133)(H,113,130)(H,114,132)(H,115,131)(H,116,134)(H,137,138)(H4,94,95,98)(H4,96,97,99)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Agonist activity at rat ORL1 receptor expressed in african green monkey COS7 cells assessed as stimulation of [35S]GTPgammaS binding by radioligand r...				Bioorg Med Chem 17: 5683-7 (2009) Article DOI: 10.1016/j.bmc.2009.06.015 BindingDB Entry DOI: 10.7270/Q2GB2435
					More data for this Ligand-Target Pair
Nociceptin receptor (RAT)	BDBM50296844 (CHEMBL558807 | FGGFTGARKSARKKWNQ) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,26.27,107.108,129.132,58.59,3.3,wD:78.79,7.15,47.48,98.99,121.124,67.68,(7.77,-3.8,;9.1,-4.57,;10.44,-3.81,;9.09,-6.11,;7.75,-6.88,;6.42,-6.1,;6.43,-4.56,;5.08,-6.86,;5.07,-8.4,;6.4,-9.18,;6.39,-10.71,;7.71,-11.49,;9.06,-10.73,;9.06,-9.18,;7.74,-8.42,;3.75,-6.08,;2.42,-6.85,;2.41,-8.39,;1.09,-6.07,;-.25,-6.83,;-1.58,-6.05,;-1.57,-4.51,;-2.92,-6.82,;-4.25,-6.04,;-5.59,-6.8,;-5.6,-8.34,;-6.91,-6.02,;-8.25,-6.79,;-6.9,-4.48,;-8.23,-3.71,;-8.22,-2.17,;-9.55,-1.38,;-10.89,-2.15,;-10.9,-3.7,;-9.57,-4.46,;10.42,-6.89,;10.41,-8.43,;11.76,-6.13,;13.09,-6.91,;14.42,-6.14,;14.43,-4.6,;15.75,-6.92,;17.09,-6.16,;17.1,-4.62,;18.42,-6.94,;18.41,-8.48,;19.76,-6.17,;21.09,-6.95,;21.08,-8.49,;19.74,-9.25,;19.73,-10.79,;18.39,-11.56,;18.38,-13.1,;17.05,-13.86,;19.72,-13.87,;22.43,-6.19,;22.44,-4.65,;23.76,-6.97,;25.09,-6.2,;25.1,-4.66,;26.44,-3.9,;26.45,-2.36,;27.79,-1.6,;27.79,-.06,;26.42,-6.98,;26.41,-8.52,;27.76,-6.22,;29.09,-7,;29.08,-8.54,;27.74,-9.3,;30.43,-6.23,;30.44,-4.69,;31.76,-7.01,;33.1,-6.25,;33.11,-4.71,;34.42,-7.03,;34.41,-8.57,;35.76,-6.26,;37.09,-7.04,;37.08,-8.58,;35.74,-9.34,;35.73,-10.88,;34.39,-11.65,;34.38,-13.19,;33.05,-13.95,;35.72,-13.96,;38.43,-6.28,;38.44,-4.74,;39.76,-7.06,;41.1,-6.29,;41.11,-4.75,;42.45,-3.99,;42.45,-2.45,;43.79,-1.69,;43.8,-.15,;42.43,-7.07,;42.42,-8.61,;43.77,-6.31,;45.09,-7.09,;45.08,-8.63,;46.41,-9.4,;46.4,-10.95,;47.72,-11.72,;47.72,-13.26,;46.43,-6.32,;46.44,-4.78,;47.76,-7.1,;49.1,-6.34,;49.11,-4.8,;50.44,-4.04,;51.83,-4.67,;52.86,-3.53,;52.1,-2.21,;52.58,-.76,;51.56,.39,;50.06,.07,;49.58,-1.38,;50.6,-2.51,;50.43,-7.12,;50.42,-8.66,;51.77,-6.36,;53.1,-7.13,;53.09,-8.67,;54.42,-9.46,;55.75,-8.69,;54.41,-11,;54.44,-6.38,;54.44,-4.84,;55.76,-7.15,;57.1,-6.39,;57.11,-4.85,;58.44,-4.09,;58.45,-2.55,;57.12,-1.77,;59.79,-1.79,;58.43,-7.17,;59.77,-6.41,;58.42,-8.71,)| Show InChI InChI=1S/C87H135N29O22/c1-47(104-69(122)45-103-84(136)71(49(3)118)116-82(134)62(39-51-22-8-5-9-23-51)106-70(123)44-101-68(121)43-102-74(126)54(91)38-50-20-6-4-7-21-50)72(124)107-59(29-18-36-98-86(94)95)76(128)111-58(28-14-17-35-90)79(131)115-65(46-117)83(135)105-48(2)73(125)108-60(30-19-37-99-87(96)97)77(129)109-56(26-12-15-33-88)75(127)110-57(27-13-16-34-89)78(130)113-63(40-52-42-100-55-25-11-10-24-53(52)55)80(132)114-64(41-67(93)120)81(133)112-61(85(137)138)31-32-66(92)119/h4-11,20-25,42,47-49,54,56-65,71,100,117-118H,12-19,26-41,43-46,88-91H2,1-3H3,(H2,92,119)(H2,93,120)(H,101,121)(H,102,126)(H,103,136)(H,104,122)(H,105,135)(H,106,123)(H,107,124)(H,108,125)(H,109,129)(H,110,127)(H,111,128)(H,112,133)(H,113,130)(H,114,132)(H,115,131)(H,116,134)(H,137,138)(H4,94,95,98)(H4,96,97,99)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay				Bioorg Med Chem 17: 5683-7 (2009) Article DOI: 10.1016/j.bmc.2009.06.015 BindingDB Entry DOI: 10.7270/Q2GB2435
					More data for this Ligand-Target Pair