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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50038605'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V1a receptor


(RAT)		BDBM50038605
PNG
(3-N3-C6H4CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)c1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C61H80N20O13/c1-80(58(93)37-11-5-12-38(32-37)78-79-69)48(31-36-18-22-40(83)23-19-36)57(92)77-45(30-34-9-3-2-4-10-34)54(89)72-42(24-25-49(62)84)53(88)76-46(33-50(63)85)55(90)74-43(14-7-27-71-61(67)68)59(94)81-28-8-15-47(81)56(91)73-41(13-6-26-70-60(65)66)52(87)75-44(51(64)86)29-35-16-20-39(82)21-17-35/h2-5,9-12,16-23,32,41-48,82-83H,6-8,13-15,24-31,33H2,1H3,(H2,62,84)(H2,63,85)(H2,64,86)(H,72,89)(H,73,91)(H,74,90)(H,75,87)(H,76,88)(H,77,92)(H4,65,66,70)(H4,67,68,71)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 17.8n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane

J Med Chem 37: 1841-9 (1994)


BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair