BDBM85375 NPY8-20, Ahx

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=PVHBYSFXBRPWJD-KONMEJKOSA-N

Data: 1 KI

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 1 hit for monomerid = 85375   

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
NPY2R (GUINEA PIG)	BDBM85375 (NPY8-20, Ahx) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C135H208N40O36/c1-11-71(8)108(129(208)168-96(62-104(140)185)120(199)163-91(55-69(4)5)122(201)171-107(70(6)7)128(207)173-109(73(10)178)130(209)159-86(25-19-51-152-135(146)147)113(192)158-87(45-46-102(138)183)116(195)156-84(23-17-49-150-133(142)143)114(193)161-89(110(141)189)57-75-31-39-80(180)40-32-75)172-123(202)93(59-77-35-43-82(182)44-36-77)164-119(198)94(60-78-64-148-67-153-78)165-115(194)85(24-18-50-151-134(144)145)157-117(196)90(54-68(2)3)162-111(190)72(9)154-124(203)98(65-176)169-118(197)92(58-76-33-41-81(181)42-34-76)155-105(186)28-13-12-16-48-149-112(191)95(61-103(139)184)166-121(200)97(63-106(187)188)167-126(205)101-27-21-53-175(101)132(211)88(22-14-15-47-136)160-125(204)99(66-177)170-127(206)100-26-20-52-174(100)131(210)83(137)56-74-29-37-79(179)38-30-74/h29-44,64,67-73,83-101,107-109,176-182H,11-28,45-63,65-66,136-137H2,1-10H3,(H2,138,183)(H2,139,184)(H2,140,185)(H2,141,189)(H,148,153)(H,149,191)(H,154,203)(H,155,186)(H,156,195)(H,157,196)(H,158,192)(H,159,209)(H,160,204)(H,161,193)(H,162,190)(H,163,199)(H,164,198)(H,165,194)(H,166,200)(H,167,205)(H,168,208)(H,169,197)(H,170,206)(H,171,201)(H,172,202)(H,173,207)(H,187,188)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)/t71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-,109-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by PDSP Ki Database									Regul Pept 23-8 (1998) Article DOI: 10.1016/s0167-0115(98)00049-4 BindingDB Entry DOI: 10.7270/Q2JM2853
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