BDBM86060 CAS_123794::CGP 42112::NSC_123794

SMILES: CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O

InChI Key: InChIKey=UXGNARZDONUMMK-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 86060   

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
Angiotensin II AT2 (RAT)	BDBM86060 (CAS_123794 | CGP 42112 | NSC_123794) Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O |(27.48,-27.05,;26.03,-27.58,;24.85,-26.6,;25.11,-25.08,;23.4,-27.13,;22.22,-26.15,;20.78,-26.68,;20.51,-28.19,;19.59,-25.69,;19.69,-24.16,;18.26,-23.58,;17.28,-24.77,;18.1,-26.07,;17.53,-27.5,;18.48,-28.71,;16,-27.72,;15.43,-29.15,;16.39,-30.36,;15.97,-31.84,;17.25,-32.7,;18.46,-31.75,;17.92,-30.3,;15.05,-26.51,;13.53,-26.73,;12.96,-28.16,;12.57,-25.52,;11.05,-25.74,;10.1,-24.53,;8.57,-24.75,;7.62,-23.54,;6.1,-23.76,;5.14,-22.55,;5.72,-21.12,;3.62,-22.77,;3.05,-24.2,;4,-25.41,;3.43,-26.84,;4.38,-28.05,;5.91,-27.83,;6.86,-29.04,;6.48,-26.4,;2.67,-21.56,;1.14,-21.78,;.57,-23.21,;.19,-20.57,;-1.33,-20.79,;-2.29,-19.58,;-3.81,-19.8,;-4.76,-18.59,;-4.19,-17.16,;-2.67,-16.94,;-1.71,-18.15,;13.15,-24.09,;14.67,-23.87,;15.62,-25.08,;15.24,-22.44,;14.29,-21.23,;12.77,-21.45,;12.19,-22.88,;10.67,-23.1,;9.72,-21.89,;8.19,-22.11,;10.29,-20.46,;11.81,-20.24,;16.77,-22.22,;17.34,-20.79,;16.39,-19.58,;18.86,-20.57,;19.81,-21.78,;21.34,-21.56,;21.91,-20.13,;20.96,-18.92,;19.43,-19.14,;23.14,-28.65,;24.33,-29.63,;21.7,-29.18,)| Show InChI InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
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