BDBM86509 CAS_0::NSC_0::[D-Tyr6,NAlpha-benzoyl-Dap11,Phe13,Nle14]Bn(6-14)

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O

InChI Key: InChIKey=KMKFNGLZOOSZPC-GBNKGEMJSA-O

Data: 3 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 3 hits for monomerid = 86509   

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
Gastrin-Releasing peptide (Homo sapiens (Human))	BDBM86509 (CAS_0 | NSC_0 | [D-Tyr6,NAlpha-benzoyl-Dap11,Phe13...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(55(66)83)73-61(89)50(29-38-15-9-7-10-16-38)79-80(67)53(31-42-33-68-35-71-42)77-62(90)51(76-57(85)40-17-11-8-12-18-40)34-70-63(91)54(36(2)3)78-56(84)37(4)72-60(88)49(30-41-32-69-46-21-14-13-19-44(41)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,32-33,35-37,45,47-51,53-54,69H,5-6,20,26-31,34,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50-,51?,53+,54-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 1161-70 (2004) Article DOI: 10.1124/jpet.104.066761 BindingDB Entry DOI: 10.7270/Q2513WSQ
					More data for this Ligand-Target Pair
BRS3 (Homo sapiens (Human))	BDBM86509 (CAS_0 | NSC_0 | [D-Tyr6,NAlpha-benzoyl-Dap11,Phe13...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(55(66)83)73-61(89)50(29-38-15-9-7-10-16-38)79-80(67)53(31-42-33-68-35-71-42)77-62(90)51(76-57(85)40-17-11-8-12-18-40)34-70-63(91)54(36(2)3)78-56(84)37(4)72-60(88)49(30-41-32-69-46-21-14-13-19-44(41)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,32-33,35-37,45,47-51,53-54,69H,5-6,20,26-31,34,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50-,51?,53+,54-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 1161-70 (2004) Article DOI: 10.1124/jpet.104.066761 BindingDB Entry DOI: 10.7270/Q2513WSQ
					More data for this Ligand-Target Pair
Neuromedin B (Homo sapiens (Human))	BDBM86509 (CAS_0 | NSC_0 | [D-Tyr6,NAlpha-benzoyl-Dap11,Phe13...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(55(66)83)73-61(89)50(29-38-15-9-7-10-16-38)79-80(67)53(31-42-33-68-35-71-42)77-62(90)51(76-57(85)40-17-11-8-12-18-40)34-70-63(91)54(36(2)3)78-56(84)37(4)72-60(88)49(30-41-32-69-46-21-14-13-19-44(41)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,32-33,35-37,45,47-51,53-54,69H,5-6,20,26-31,34,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50-,51?,53+,54-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 1161-70 (2004) Article DOI: 10.1124/jpet.104.066761 BindingDB Entry DOI: 10.7270/Q2513WSQ
					More data for this Ligand-Target Pair